Home Cart 0 Sign in  
X

[ CAS No. 1692147-32-2 ]

{[proInfo.proName]} ,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1692147-32-2
Chemical Structure| 1692147-32-2
Chemical Structure| 1692147-32-2
Structure of 1692147-32-2 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Bulk Inquiry Add To Cart

Quality Control of [ 1692147-32-2 ]

Related Doc. of [ 1692147-32-2 ]

Alternatived Products of [ 1692147-32-2 ]

Product Details of [ 1692147-32-2 ]

CAS No. :1692147-32-2 MDL No. :MFCD22380334
Formula : C10H8N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :NDKSDABMEKCABD-UHFFFAOYSA-N
M.W :188.18 Pubchem ID :22719520
Synonyms :

Calculated chemistry of [ 1692147-32-2 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 53.11
TPSA : 76.21 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.71 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.03
Log Po/w (XLOGP3) : 1.04
Log Po/w (WLOGP) : 1.52
Log Po/w (MLOGP) : -0.35
Log Po/w (SILICOS-IT) : 1.08
Consensus Log Po/w : 0.86

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.12
Solubility : 1.41 mg/ml ; 0.00751 mol/l
Class : Soluble
Log S (Ali) : -2.23
Solubility : 1.11 mg/ml ; 0.00588 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.72
Solubility : 0.361 mg/ml ; 0.00192 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.3

Safety of [ 1692147-32-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 1692147-32-2 ]

Amines

Chemical Structure| 1416439-59-2

[ 1416439-59-2 ]

5-Aminoquinoline-3-carboxylic acid

Similarity: 0.98

Chemical Structure| 21872-88-8

[ 21872-88-8 ]

6-Aminoquinoline-3-carboxylic acid

Similarity: 0.98

Chemical Structure| 1416438-33-9

[ 1416438-33-9 ]

4-Aminoquinoline-8-carboxylic acid

Similarity: 0.96

Chemical Structure| 80690-06-8

[ 80690-06-8 ]

5-Aminoquinoline-8-carboxylic acid

Similarity: 0.96

Chemical Structure| 157915-06-5

[ 157915-06-5 ]

6-Aminoquinoline-8-carboxylic acid

Similarity: 0.94

Carboxylic Acids

Chemical Structure| 1416439-59-2

[ 1416439-59-2 ]

5-Aminoquinoline-3-carboxylic acid

Similarity: 0.98

Chemical Structure| 21872-88-8

[ 21872-88-8 ]

6-Aminoquinoline-3-carboxylic acid

Similarity: 0.98

Chemical Structure| 1416438-33-9

[ 1416438-33-9 ]

4-Aminoquinoline-8-carboxylic acid

Similarity: 0.96

Chemical Structure| 80690-06-8

[ 80690-06-8 ]

5-Aminoquinoline-8-carboxylic acid

Similarity: 0.96

Chemical Structure| 157915-06-5

[ 157915-06-5 ]

6-Aminoquinoline-8-carboxylic acid

Similarity: 0.94

Related Parent Nucleus of
[ 1692147-32-2 ]

Quinolines

Chemical Structure| 1416439-59-2

[ 1416439-59-2 ]

5-Aminoquinoline-3-carboxylic acid

Similarity: 0.98

Chemical Structure| 21872-88-8

[ 21872-88-8 ]

6-Aminoquinoline-3-carboxylic acid

Similarity: 0.98

Chemical Structure| 1416438-33-9

[ 1416438-33-9 ]

4-Aminoquinoline-8-carboxylic acid

Similarity: 0.96

Chemical Structure| 80690-06-8

[ 80690-06-8 ]

5-Aminoquinoline-8-carboxylic acid

Similarity: 0.96

Chemical Structure| 157915-06-5

[ 157915-06-5 ]

6-Aminoquinoline-8-carboxylic acid

Similarity: 0.94