CAS 112794-29-3 | 3-Isoquinolinecarboxamide, 1,2,3,4-tetrahydro- | CAS Number 112794-29-3

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Quinoline > 112794-29-3

112794-29-3 | 3-Isoquinolinecarboxamide, 1,2,3,4-tetrahydro-

CAS No: 112794-29-3 Catalog No: AG00HCFH MDL No:MFCD06655410

Product Description

Catalog Number:

AG00HCFH

Chemical Name:

3-Isoquinolinecarboxamide, 1,2,3,4-tetrahydro-

CAS Number:

112794-29-3

Molecular Formula:

C10H12N2O

Molecular Weight:

176.2151

MDL Number:

MFCD06655410

IUPAC Name:

1,2,3,4-tetrahydroisoquinoline-3-carboxamide

InChI:

InChI=1S/C10H12N2O/c11-10(13)9-5-7-3-1-2-4-8(7)6-12-9/h1-4,9,12H,5-6H2,(H2,11,13)

InChI Key:

JFMNKDRNEZZRBW-UHFFFAOYSA-N

SMILES:

NC(=O)C1NCc2c(C1)cccc2

Properties

Complexity:

205

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

176.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

176.219g/mol

Monoisotopic Mass:

176.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Potent 7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid-based macrocyclic inhibitors of hepatitis C virus NS3 protease.	Journal of medicinal chemistry 20060126