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88067-76-9 | 4-Quinolinecarboxamide, N-(4-methylphenyl)-2-phenyl-
CAS No: 88067-76-9 Catalog No: AG008CZR MDL No:
Product Description
Catalog Number:
AG008CZR
Chemical Name:
4-Quinolinecarboxamide, N-(4-methylphenyl)-2-phenyl-
CAS Number:
88067-76-9
Molecular Formula:
C23H18N2O
Molecular Weight:
338.4018
IUPAC Name:
N-(4-methylphenyl)-2-phenylquinoline-4-carboxamide
InChI:
InChI=1S/C23H18N2O/c1-16-11-13-18(14-12-16)24-23(26)20-15-22(17-7-3-2-4-8-17)25-21-10-6-5-9-19(20)21/h2-15H,1H3,(H,24,26)
InChI Key:
PMSHRZMEDDFETM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.41g/mol
Monoisotopic Mass:
338.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| Comparative study of the affinity and metabolism of type I and type II binding quinoline carboxamide analogues by cytochrome P450 3A4. | Journal of medicinal chemistry 20120112 |
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