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88067-77-0 | 4-Quinolinecarboxamide, N-(4-methoxyphenyl)-2-phenyl-
CAS No: 88067-77-0 Catalog No: AG004EXV MDL No:
Product Description
Catalog Number:
AG004EXV
Chemical Name:
4-Quinolinecarboxamide, N-(4-methoxyphenyl)-2-phenyl-
CAS Number:
88067-77-0
Molecular Formula:
C23H18N2O2
Molecular Weight:
354.4012
IUPAC Name:
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
InChI:
InChI=1S/C23H18N2O2/c1-27-18-13-11-17(12-14-18)24-23(26)20-15-22(16-7-3-2-4-8-16)25-21-10-6-5-9-19(20)21/h2-15H,1H3,(H,24,26)
InChI Key:
AFAFDMOIWWTYNC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.137g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.409g/mol
Monoisotopic Mass:
354.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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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