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667897-40-7 | 3-Quinolinecarboxamide, 1,2-dihydro-1-methyl-2-oxo-N-phenyl-
CAS No: 667897-40-7 Catalog No: AG006HTU MDL No:
Product Description
Catalog Number:
AG006HTU
Chemical Name:
3-Quinolinecarboxamide, 1,2-dihydro-1-methyl-2-oxo-N-phenyl-
CAS Number:
667897-40-7
Molecular Formula:
C17H14N2O2
Molecular Weight:
278.3053
IUPAC Name:
1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
InChI:
InChI=1S/C17H14N2O2/c1-19-15-10-6-5-7-12(15)11-14(17(19)21)16(20)18-13-8-3-2-4-9-13/h2-11H,1H3,(H,18,20)
InChI Key:
RLXFIELEHHVOJD-UHFFFAOYSA-N
SMILES:
O=C(c1cc2ccccc2n(c1=O)C)Nc1ccccc1
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.311g/mol
Monoisotopic Mass:
278.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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