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[ CAS No. 1078-28-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1078-28-0
Chemical Structure| 1078-28-0
Chemical Structure| 1078-28-0
Structure of 1078-28-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1078-28-0 ]

CAS No. :1078-28-0 MDL No. :MFCD00006761
Formula : C11H11NO Boiling Point : -
Linear Structure Formula :- InChI Key :NAGJQQFMJKMXJQ-UHFFFAOYSA-N
M.W : 173.21 Pubchem ID :70648
Synonyms :

Calculated chemistry of [ 1078-28-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.18
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 53.2
TPSA : 22.12 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.54 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.33
Log Po/w (XLOGP3) : 2.56
Log Po/w (WLOGP) : 2.55
Log Po/w (MLOGP) : 1.78
Log Po/w (SILICOS-IT) : 2.91
Consensus Log Po/w : 2.43

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.03
Solubility : 0.162 mg/ml ; 0.000933 mol/l
Class : Soluble
Log S (Ali) : -2.67
Solubility : 0.368 mg/ml ; 0.00213 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.21
Solubility : 0.0107 mg/ml ; 0.0000615 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.21

Safety of [ 1078-28-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1078-28-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 1078-28-0 ]

[ 1078-28-0 ] Synthesis Path-Downstream   1~96

  • 1
  • [ 50593-73-2 ]
  • [ 1078-28-0 ]
  • 2
  • [ 1078-28-0 ]
  • [ 814-49-3 ]
  • [ 226916-34-3 ]
YieldReaction ConditionsOperation in experiment
27.2 g Under an argon atmosphere, after a tetrahydrofuran solution (600 mL) of <strong>[1078-28-0]6-methoxy-2-methylquinoline</strong> (7) (43.0 g, 248 mmol) was cooled down to -70C, tert-butyllithium (1.61M hexane solution, 200 mL, 322 mmol) was added dropwise. The reaction liquid was stirred for 1 hour, and diethyl chlorophosphate (59.9 g, 347 mmol) was added dropwise. The reaction liquid was stirred for 1 hour, and, after water was added and the reaction liquid was stirred all night, the reaction liquid was extracted with ethyl acetate. After the organic layer was washed with saturated saline water and dried with anhydrous sodium sulphate, the solvent was distillated under reduced pressure. By refining the residue by column chromatography (developing solvent: ethyl acetate ? ethyl acetate /methanol = 19/1), 27.2 g of the title compound (8) was obtained.
  • 3
  • [ 1078-28-0 ]
  • [ 501-53-1 ]
  • (R)-(-)-6-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid benzyl ester [ No CAS ]
  • (S)-(+)-6-methoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid benzyl ester [ No CAS ]
  • 4
  • (+/-)-cis-4-ethoxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline [ No CAS ]
  • (+/-)-trans-6-methoxy-2-methyl-1,2,3,4-tetrahydroquinolin-4-ol [ No CAS ]
  • (+/-)-cis-6-methoxy-2-methyl-1,2,3,4-tetrahydroquinolin-4-ol [ No CAS ]
  • [ 1078-28-0 ]
  • 5
  • (+/-)-cis-4-ethoxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline [ No CAS ]
  • [ 100372-30-3 ]
  • [ 1078-28-0 ]
  • 6
  • (+/-)-cis-4-ethoxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline [ No CAS ]
  • (+/-)-trans-4,6-dimethoxy-2-methyl-1,2,3,4-tatrahydroquinoline [ No CAS ]
  • [ 100372-30-3 ]
  • [ 1078-28-0 ]
  • 8
  • [ 1078-28-0 ]
  • (3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-(6-Methoxy-quinolin-2-yl)-vinyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one [ No CAS ]
  • 9
  • [ 1078-28-0 ]
  • (3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-(6-Methoxy-1-oxy-quinolin-2-yl)-vinyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one [ No CAS ]
  • 11
  • [ 1078-28-0 ]
  • [ 852403-18-0 ]
  • 12
  • [ 1078-28-0 ]
  • [ 852402-74-5 ]
  • 13
  • [ 1078-28-0 ]
  • ((S)-6-Methoxy-1,2,3,4-tetrahydro-quinolin-2-ylmethyl)-((S)-1-phenyl-ethyl)-amine [ No CAS ]
  • 14
  • [ 1078-28-0 ]
  • ((R)-6-Methoxy-1,2,3,4-tetrahydro-quinolin-2-ylmethyl)-((S)-1-phenyl-ethyl)-amine [ No CAS ]
  • 15
  • [ 1078-28-0 ]
  • [ 852402-84-7 ]
  • 16
  • [ 1078-28-0 ]
  • [ 852402-79-0 ]
  • 17
  • [ 1078-28-0 ]
  • [ 852403-00-0 ]
  • 18
  • [ 1078-28-0 ]
  • [ 852403-05-5 ]
  • 19
  • [ 1078-28-0 ]
  • 4-(8-methoxy-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-<i>a</i>]quinolin-3-yl)-butylamine [ No CAS ]
  • 20
  • [ 1078-28-0 ]
  • 4-(8-methoxy-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-<i>a</i>]quinolin-3-yl)-butylamine [ No CAS ]
  • 21
  • [ 1078-28-0 ]
  • [ 852402-90-5 ]
  • 22
  • [ 1078-28-0 ]
  • [ 852402-95-0 ]
  • 23
  • [ 1078-28-0 ]
  • 2-Chloro-1-{(S)-6-methoxy-2-[((S)-1-phenyl-ethylamino)-methyl]-3,4-dihydro-2H-quinolin-1-yl}-ethanone [ No CAS ]
  • 24
  • [ 1078-28-0 ]
  • 2-Chloro-1-{(R)-6-methoxy-2-[((S)-1-phenyl-ethylamino)-methyl]-3,4-dihydro-2H-quinolin-1-yl}-ethanone [ No CAS ]
  • 25
  • [ 1078-28-0 ]
  • ((S)-6-Methoxy-1,2,3,4-tetrahydro-quinolin-2-ylmethyl)-((S)-1-phenyl-ethyl)-carbamic acid tert-butyl ester [ No CAS ]
  • 26
  • [ 1078-28-0 ]
  • ((R)-6-Methoxy-1,2,3,4-tetrahydro-quinolin-2-ylmethyl)-((S)-1-phenyl-ethyl)-carbamic acid tert-butyl ester [ No CAS ]
  • 27
  • [ 1078-28-0 ]
  • 1-[2-(8-methoxy-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-<i>a</i>]quinolin-3-yl)-ethyl]-piperidin-4-ylamine [ No CAS ]
  • 28
  • [ 1078-28-0 ]
  • 1-[2-(8-methoxy-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-<i>a</i>]quinolin-3-yl)-ethyl]-piperidin-4-ylamine [ No CAS ]
  • 29
  • [ 1078-28-0 ]
  • 2-(4-amino-piperidin-1-yl)-1-(8-methoxy-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-<i>a</i>]quinolin-3-yl)-ethanone [ No CAS ]
  • 30
  • [ 1078-28-0 ]
  • 2-(4-amino-piperidin-1-yl)-1-(8-methoxy-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-<i>a</i>]quinolin-3-yl)-ethanone [ No CAS ]
  • 31
  • [ 1078-28-0 ]
  • [(R)-1-(2-Chloro-acetyl)-6-methoxy-1,2,3,4-tetrahydro-quinolin-2-ylmethyl]-((S)-1-phenyl-ethyl)-carbamic acid tert-butyl ester [ No CAS ]
  • 32
  • [ 1078-28-0 ]
  • [(S)-1-(2-Chloro-acetyl)-6-methoxy-1,2,3,4-tetrahydro-quinolin-2-ylmethyl]-((S)-1-phenyl-ethyl)-carbamic acid tert-butyl ester [ No CAS ]
  • 33
  • [ 1078-28-0 ]
  • 2-[4-(8-methoxy-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-<i>a</i>]quinolin-3-yl)-butyl]-isoindole-1,3-dione [ No CAS ]
  • 34
  • [ 1078-28-0 ]
  • 2-[4-(8-methoxy-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-<i>a</i>]quinolin-3-yl)-butyl]-isoindole-1,3-dione [ No CAS ]
  • 35
  • [ 1078-28-0 ]
  • {1-[2-(8-methoxy-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-<i>a</i>]quinolin-3-yl)-2-oxo-ethyl]-piperidin-4-yl}-carbamic acid <i>tert</i>-butyl ester [ No CAS ]
  • 36
  • [ 1078-28-0 ]
  • [ 1026399-49-4 ]
  • 37
  • [ 1078-28-0 ]
  • naphthalene-2-carboxylic acid [4-(8-methoxy-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-<i>a</i>]quinolin-3-yl)-butyl]-amide [ No CAS ]
  • 38
  • [ 1078-28-0 ]
  • naphthalene-2-carboxylic acid [4-(8-methoxy-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-<i>a</i>]quinolin-3-yl)-butyl]-amide [ No CAS ]
  • 39
  • [ 1078-28-0 ]
  • 4-[2-(8-methoxy-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-<i>a</i>]quinolin-3-yl)-ethyl]-cyclohexylamine [ No CAS ]
  • 40
  • [ 1078-28-0 ]
  • 4-[2-(8-methoxy-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-<i>a</i>]quinolin-3-yl)-ethyl]-cyclohexylamine [ No CAS ]
  • 41
  • [ 1078-28-0 ]
  • 2-(4-amino-cyclohexyl)-1-(8-methoxy-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-<i>a</i>]quinolin-3-yl)-ethanone [ No CAS ]
  • 42
  • [ 1078-28-0 ]
  • 2-(4-amino-cyclohexyl)-1-(8-methoxy-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-<i>a</i>]quinolin-3-yl)-ethanone [ No CAS ]
  • 43
  • [ 1078-28-0 ]
  • naphthalene-2-carboxylic acid {1-[2-(8-methoxy-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-<i>a</i>]quinolin-3-yl)-ethyl]-piperidin-4-yl}-amide [ No CAS ]
  • 44
  • [ 1078-28-0 ]
  • naphthalene-2-carboxylic acid {1-[2-(8-methoxy-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-<i>a</i>]quinolin-3-yl)-ethyl]-piperidin-4-yl}-amide [ No CAS ]
  • 45
  • [ 1078-28-0 ]
  • {4-[2-(8-methoxy-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-<i>a</i>]quinolin-3-yl)-2-oxo-ethyl]-cyclohexyl}-carbamic acid <i>tert</i>-butyl ester [ No CAS ]
  • 46
  • [ 1078-28-0 ]
  • {4-[2-(8-methoxy-1,2,4,4a,5,6-hexahydro-pyrazino[1,2-<i>a</i>]quinolin-3-yl)-2-oxo-ethyl]-cyclohexyl}-carbamic acid <i>tert</i>-butyl ester [ No CAS ]
  • 47
  • [ 1078-28-0 ]
  • (R)-trans-naphthalene-2-carboxylic acid {4-[2-(8-methoxy-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]cyclohexyl}amide [ No CAS ]
  • 48
  • [ 1078-28-0 ]
  • (S)-trans-naphthalene-2-carboxylic acid {4-[2-(8-methoxy-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]cyclohexyl}amide [ No CAS ]
  • 51
  • [ 1078-28-0 ]
  • {2-methoxy-5-[6-(4-methoxy-3-[(6-methoxy-quinolin-2-ylmethyl)-methyl-amino]-methyl}-phenyl)-1,1,6,6-tetraphenyl-hexa-2,4-diynyl]-benzyl}-(6-methoxy-quinolin-2-ylmethyl)-methyl-amine [ No CAS ]
  • 52
  • [ 943-88-4 ]
  • [ 1078-28-0 ]
  • 53
  • [ 104-20-1 ]
  • [ 1078-28-0 ]
  • 54
  • [ 29114-51-0 ]
  • [ 1078-28-0 ]
  • 55
  • [ 20766-31-8 ]
  • [ 1078-28-0 ]
  • 56
  • [ 123-11-5 ]
  • nonanoylzirconocene chloride [ No CAS ]
  • [ 1078-28-0 ]
  • 57
  • [ 591-31-1 ]
  • [ 1078-28-0 ]
  • 58
  • [ 191484-58-9 ]
  • [ 1078-28-0 ]
  • 59
  • [ 191484-60-3 ]
  • [ 1078-28-0 ]
  • 60
  • [ 1078-28-0 ]
  • 6-Methoxy-1-methyl-2-((1E,3E)-4-phenyl-buta-1,3-dienyl)-quinolinium; iodide [ No CAS ]
  • 61
  • [ 1078-28-0 ]
  • 6-Methoxy-1-methyl-2-((E)-3-phenyl-propenyl)-quinolinium; iodide [ No CAS ]
  • 62
  • [ 1078-28-0 ]
  • 2-[(E)-2-(2-Formyl-phenyl)-vinyl]-6-methoxy-1-methyl-quinolinium; iodide [ No CAS ]
  • 63
  • [ 1078-28-0 ]
  • 2-[(E)-2-(4-Formyl-phenyl)-vinyl]-6-methoxy-1-methyl-quinolinium; iodide [ No CAS ]
  • 64
  • [ 1078-28-0 ]
  • 2-[(E)-2-(3-Bromo-phenyl)-vinyl]-6-methoxy-1-methyl-quinolinium; iodide [ No CAS ]
  • 65
  • [ 1078-28-0 ]
  • 2-[(E)-2-(4-Hydroxy-phenyl)-vinyl]-6-methoxy-1-methyl-quinolinium; iodide [ No CAS ]
  • 66
  • [ 1078-28-0 ]
  • 2-[(E)-2-(4-Fluoro-phenyl)-vinyl]-6-methoxy-1-methyl-quinolinium; iodide [ No CAS ]
  • 67
  • [ 1078-28-0 ]
  • 2-[(E)-2-(4-Bromo-phenyl)-vinyl]-6-methoxy-1-methyl-quinolinium; iodide [ No CAS ]
  • 68
  • [ 1078-28-0 ]
  • 2-[(E)-2-(2-Fluoro-phenyl)-vinyl]-6-methoxy-1-methyl-quinolinium; iodide [ No CAS ]
  • 69
  • [ 1078-28-0 ]
  • 2-[(E)-2-(2-Bromo-phenyl)-vinyl]-6-methoxy-1-methyl-quinolinium; iodide [ No CAS ]
  • 70
  • [ 1078-28-0 ]
  • 6-Methoxy-2-[(E)-2-(4-methoxy-phenyl)-vinyl]-1-methyl-quinolinium; iodide [ No CAS ]
  • 71
  • [ 1078-28-0 ]
  • 2-(2-hydroxy-3-phenyl-propyl)-6-methoxy-1-methyl-quinolinium; iodide [ No CAS ]
  • 72
  • [ 1078-28-0 ]
  • 6-Methoxy-1-methyl-2-[(E)-2-(2-nitro-phenyl)-vinyl]-quinolinium; iodide [ No CAS ]
  • 73
  • [ 1078-28-0 ]
  • 6-Methoxy-1-methyl-2-[(E)-2-(3-nitro-phenyl)-vinyl]-quinolinium; iodide [ No CAS ]
  • 74
  • [ 1078-28-0 ]
  • 2-[(E)-2-(4-Dimethylamino-phenyl)-vinyl]-6-methoxy-1-methyl-quinolinium; iodide [ No CAS ]
  • 75
  • [ 1078-28-0 ]
  • 6-Methoxy-1-methyl-2-[(E)-2-(4-nitro-phenyl)-vinyl]-quinolinium; iodide [ No CAS ]
  • 76
  • [ 1078-28-0 ]
  • 2-((E)-2-Hydroxy-4-phenyl-but-3-enyl)-6-methoxy-1-methyl-quinolinium; iodide [ No CAS ]
  • 77
  • [ 1078-28-0 ]
  • 6-Methoxy-1-methyl-2-((E)-2-naphthalen-1-yl-vinyl)-quinolinium; iodide [ No CAS ]
  • 78
  • [ 1078-28-0 ]
  • 6-Methoxy-1-methyl-2-[(1E,3E)-4-(2-nitro-phenyl)-buta-1,3-dienyl]-quinolinium; iodide [ No CAS ]
  • 79
  • [ 1078-28-0 ]
  • 2-[(E)-2-(3-Hydroxy-4-methoxy-phenyl)-vinyl]-6-methoxy-1-methyl-quinolinium; iodide [ No CAS ]
  • 80
  • [ 1078-28-0 ]
  • 2-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-6-methoxy-1-methyl-quinolinium; iodide [ No CAS ]
  • 82
  • [ 1078-28-0 ]
  • 2-[(1E,3E)-4-(4-Dimethylamino-phenyl)-buta-1,3-dienyl]-6-methoxy-1-methyl-quinolinium; iodide [ No CAS ]
  • 83
  • [ 1078-28-0 ]
  • 2-[2-(1<i>H</i>-indol-3-yl)-vinyl]-6-methoxy-1-methyl-quinolinium; iodide [ No CAS ]
  • 84
  • [ 1078-28-0 ]
  • 2-[2-(2-bromo-phenyl)-2-hydroxy-ethyl]-6-methoxy-1-methyl-quinolinium; iodide [ No CAS ]
  • 85
  • [ 1078-28-0 ]
  • 2-[2-hydroxy-2-(4-methoxy-phenyl)-ethyl]-6-methoxy-1-methyl-quinolinium; iodide [ No CAS ]
  • 86
  • [ 1078-28-0 ]
  • 2-((E)-2-Biphenyl-4-yl-vinyl)-6-methoxy-1-methyl-quinolinium; iodide [ No CAS ]
  • 87
  • [ 1078-28-0 ]
  • 2-[(Z)-2-(2-Fluoro-phenyl)-2-hydroxy-vinyl]-6-methoxy-1-methyl-quinolinium; iodide [ No CAS ]
  • 89
  • [ 1078-28-0 ]
  • 2-[2-(4-fluoro-phenyl)-2-hydroxy-ethyl]-6-methoxy-1-methyl-quinolinium; iodide [ No CAS ]
  • 90
  • [ 1078-28-0 ]
  • 2-[2-(3-bromo-phenyl)-2-hydroxy-ethyl]-6-methoxy-1-methyl-quinolinium; iodide [ No CAS ]
  • 91
  • [ 1078-28-0 ]
  • 2-[(E)-2-(4-Acetylamino-phenyl)-vinyl]-6-methoxy-1-methyl-quinolinium; iodide [ No CAS ]
  • 92
  • [ 1078-28-0 ]
  • 2-[2-(4-bromo-phenyl)-2-hydroxy-ethyl]-6-methoxy-1-methyl-quinolinium; iodide [ No CAS ]
  • 93
  • [ 1078-28-0 ]
  • 2-((E)-2-Benzo[1,3]dioxol-5-yl-vinyl)-6-methoxy-1-methyl-quinolinium; iodide [ No CAS ]
  • 94
  • [ 1078-28-0 ]
  • 2-[2-(4-formyl-phenyl)-2-hydroxy-ethyl]-6-methoxy-1-methyl-quinolinium; iodide [ No CAS ]
  • 95
  • [ 1078-28-0 ]
  • 2-[2-(2-formyl-phenyl)-2-hydroxy-ethyl]-6-methoxy-1-methyl-quinolinium; iodide [ No CAS ]
  • 96
  • [ 1078-28-0 ]
  • 6-Methoxy-1-methyl-2-[(E)-2-(3,4,5-trimethoxy-phenyl)-vinyl]-quinolinium; iodide [ No CAS ]
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