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861675-57-2

861675-57-2 | 3-Quinolinecarboxamide, 7-chloro-4-hydroxy-N-methyl-N-phenyl-

CAS No: 861675-57-2 Catalog No: AG004KUF MDL No:

Product Description

Catalog Number:
AG004KUF
Chemical Name:
3-Quinolinecarboxamide, 7-chloro-4-hydroxy-N-methyl-N-phenyl-
CAS Number:
861675-57-2
Molecular Formula:
C17H13ClN2O2
Molecular Weight:
312.7503
IUPAC Name:
7-chloro-N-methyl-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
InChI:
InChI=1S/C17H13ClN2O2/c1-20(12-5-3-2-4-6-12)17(22)14-10-19-15-9-11(18)7-8-13(15)16(14)21/h2-10H,1H3,(H,19,21)
InChI Key:
HIJZTYXWNSFRDJ-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)ncc(c2O)C(=O)N(c1ccccc1)C

Properties

Complexity:
485  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.067g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
312.753g/mol
Monoisotopic Mass:
312.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

Literature

Title Journal
Design, synthesis, and biological evaluation of novel 4-hydro-quinoline-3-carboxamide derivatives as an immunomodulator. Bioorganic & medicinal chemistry letters 20050615

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