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88067-79-2 | 4-Quinolinecarboxamide, N,N,2-triphenyl-
CAS No: 88067-79-2 Catalog No: AG004EXU MDL No:
Product Description
Catalog Number:
AG004EXU
Chemical Name:
4-Quinolinecarboxamide, N,N,2-triphenyl-
CAS Number:
88067-79-2
Molecular Formula:
C28H20N2O
Molecular Weight:
400.4712
IUPAC Name:
N,N,2-triphenylquinoline-4-carboxamide
InChI:
InChI=1S/C28H20N2O/c31-28(30(22-14-6-2-7-15-22)23-16-8-3-9-17-23)25-20-27(21-12-4-1-5-13-21)29-26-19-11-10-18-24(25)26/h1-20H
InChI Key:
FYCJGKJUGHZLQW-UHFFFAOYSA-N
SMILES:
O=C(c1cc(nc2c1cccc2)c1ccccc1)N(c1ccccc1)c1ccccc1
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.158g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.481g/mol
Monoisotopic Mass:
400.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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