N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide

• ChemBase ID: 850763
• Molecular Formular: C22H20N4O3
• Molecular Mass: 388.4192
• Monoisotopic Mass: 388.15354052
• SMILES: c1(c(=O)n2c(nc1)cccc2C)C(=O)N(Cc1c2c(nccc2)c(cc1)OC)C
• Canonical SMILES: COc1ccc(c2c1nccc2)CN(C(=O)c1cnc2n(c1=O)c(C)ccc2)C
• InChI: InChI=1S/C22H20N4O3/c1-14-6-4-8-19-24-12-17(22(28)26(14)19)21(27)25(2)13-15-9-10-18(29-3)20-16(15)7-5-11-23-20/h4-12H,13H2,1-3H3
• InChIKey: HQNMCLMGPCRBOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
• Synonyms: N-[(8-methoxyquinolin-5-yl)methyl]-N,6-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.6918125
• LogD (pH = 7.4): 1.6922426
• Log P: 1.6922481
• Molar Refractivity: 111.4352 cm^3
• Polarizability: 42.521084 Å^3
• Polar Surface Area: 75.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.15
• LOG S: -3.01
• Polar Surface Area: 76.8 Å^2
• Rotatable Bonds: 4