N-[(8-methoxyquinolin-5-yl)methyl]-N,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 412160
• Molecular Formular: C20H21N3O3
• Molecular Mass: 351.39904
• Monoisotopic Mass: 351.15829155
• SMILES: c1(c(=O)[nH]c(cc1C)C)C(=O)N(Cc1c2c(nccc2)c(cc1)OC)C
• Canonical SMILES: COc1ccc(c2c1nccc2)CN(C(=O)c1c(C)cc([nH]c1=O)C)C
• InChI: InChI=1S/C20H21N3O3/c1-12-10-13(2)22-19(24)17(12)20(25)23(3)11-14-7-8-16(26-4)18-15(14)6-5-9-21-18/h5-10H,11H2,1-4H3,(H,22,24)
• InChIKey: GCSOCVCDSKDTAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(8-methoxyquinolin-5-yl)methyl]-N,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-[(8-methoxyquinolin-5-yl)methyl]-N,4,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: N-[(8-methoxyquinolin-5-yl)methyl]-N,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.033949
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4139683
• LogD (pH = 7.4): 1.4143101
• Log P: 1.414405
• Molar Refractivity: 100.8334 cm^3
• Polarizability: 39.08202 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.75
• LOG S: -3.26
• Polar Surface Area: 75.29 Å^2
• Rotatable Bonds: 4