N-[(8-methoxyquinolin-5-yl)methyl]-N,1-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide

• ChemBase ID: 863829
• Molecular Formular: C19H19N3O3
• Molecular Mass: 337.37246
• Monoisotopic Mass: 337.14264148
• SMILES: c1(C(=O)N(Cc2c3c(nccc3)c(cc2)OC)C)cn(c(=O)cc1)C
• Canonical SMILES: COc1ccc(c2c1nccc2)CN(C(=O)c1ccc(=O)n(c1)C)C
• InChI: InChI=1S/C19H19N3O3/c1-21-12-14(7-9-17(21)23)19(24)22(2)11-13-6-8-16(25-3)18-15(13)5-4-10-20-18/h4-10,12H,11H2,1-3H3
• InChIKey: MVXXPCICPGLWQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(8-methoxyquinolin-5-yl)methyl]-N,1-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-[(8-methoxyquinolin-5-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide
• Synonyms: N-[(8-methoxyquinolin-5-yl)methyl]-N,1-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0400219
• LogD (pH = 7.4): 1.0404524
• Log P: 1.0404578
• Molar Refractivity: 95.5539 cm^3
• Polarizability: 37.239063 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.09
• LOG S: -3.05
• Polar Surface Area: 64.43 Å^2
• Rotatable Bonds: 4