CAS 4363-95-5 | 4-Quinolinecarboxamide | CAS Number 4363-95-5

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4363-95-5 | 4-Quinolinecarboxamide

CAS No: 4363-95-5 Catalog No: AG00739I MDL No:MFCD00672908

Product Description

Catalog Number:

AG00739I

Chemical Name:

4-Quinolinecarboxamide

CAS Number:

4363-95-5

Molecular Formula:

C10H8N2O

Molecular Weight:

172.1833

MDL Number:

MFCD00672908

IUPAC Name:

quinoline-4-carboxamide

InChI:

InChI=1S/C10H8N2O/c11-10(13)8-5-6-12-9-4-2-1-3-7(8)9/h1-6H,(H2,11,13)

InChI Key:

LEWDKQKVAFOMPI-UHFFFAOYSA-N

SMILES:

NC(=O)c1ccnc2c1cccc2

Properties

Complexity:

205

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

172.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

172.187g/mol

Monoisotopic Mass:

172.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

56A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2

Literature

Title	Journal
Comparative QSAR analyses of competitive CYP2C9 inhibitors using three-dimensional molecular descriptors.	Chemical biology & drug design 20110701
Cytochrome P450 2C9 type II binding studies on quinoline-4-carboxamide analogues.	Journal of medicinal chemistry 20081225
Talnetant GlaxoSmithKline.	Current opinion in investigational drugs (London, England : 2000) 20050701