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ZINC00920304,ASN 04261268,2,6-Dimethyl-quinoline-4-carboxylic acid (4-

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摘 要:ZINC00920304,ASN 04261268,2,6-Dimethyl-quinoline-4-carboxylic acid (4-bromo-phenyl)-amide, N-(4-bromophenyl)-2,6-dimethylquinoline-4-carboxamide,Canonical SMILES: CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=CC=C(C=C3)Br)C,InChI: InChI=1/C18H15BrN2O/c1-11-3-8-17-
[Synonyms]
ZINC00920304
ASN 04261268
2,6-Dimethyl-quinoline-4-carboxylic acid (4-bromo-phenyl)-amide

[Structure]
ZINC00920304,ASN 04261268,2,6-Dimethyl-quinoline-4-carboxylic acid (4-

[ Properties Computed from Structure]
Molecular Weight355.2285 [g/mol]
Molecular FormulaC18H15BrN2O
XLogP4.6
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count2
Tautomer Count2
Exact Mass354.036776
MonoIsotopic Mass354.036776
Topological Polar Surface Area42
Heavy Atom Count22
Formal Charge0
Complexity395
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-(4-bromophenyl)-2,6-dimethylquinoline-4-carboxamide
Canonical SMILES: CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=CC=C(C=C3)Br)C
InChI: InChI=1/C18H15BrN2O/c1-11-3-8-17-15(9-11)16(10-12(2)20-17)18(22)21-14-6-
4-13(19)5-7-14/h3-10H,1-2H3,(H,21,22)/f/h21H

 
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