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30831-91-5 | 1(2H)-Quinolinecarboxamide, N-phenyl-
CAS No: 30831-91-5 Catalog No: AG0031FV MDL No:
Product Description
Catalog Number:
AG0031FV
Chemical Name:
1(2H)-Quinolinecarboxamide, N-phenyl-
CAS Number:
30831-91-5
Molecular Formula:
C16H14N2O
Molecular Weight:
250.2952
IUPAC Name:
N-phenyl-2H-quinoline-1-carboxamide
InChI:
InChI=1S/C16H14N2O/c19-16(17-14-9-2-1-3-10-14)18-12-6-8-13-7-4-5-11-15(13)18/h1-11H,12H2,(H,17,19)
InChI Key:
NUTCGOHCGOZXLH-UHFFFAOYSA-N
SMILES:
O=C(N1CC=Cc2c1cccc2)Nc1ccccc1
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.301g/mol
Monoisotopic Mass:
250.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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