N-{[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl}-N-(2-methoxyethyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 470802
• Molecular Formular: C24H27N5O3
• Molecular Mass: 433.50288
• Monoisotopic Mass: 433.21138975
• SMILES: c1(nc2n(c1)cccc2)C(=O)N(Cc1c(nc2c(c1)ccc(c2)OC)N(C)C)CCOC
• Canonical SMILES: COCCN(C(=O)c1nc2n(c1)cccc2)Cc1cc2ccc(cc2nc1N(C)C)OC
• InChI: InChI=1S/C24H27N5O3/c1-27(2)23-18(13-17-8-9-19(32-4)14-20(17)26-23)15-29(11-12-31-3)24(30)21-16-28-10-6-5-7-22(28)25-21/h5-10,13-14,16H,11-12,15H2,1-4H3
• InChIKey: VYPYWQHKVSYDCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl}-N-(2-methoxyethyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-{[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl}-N-(2-methoxyethyl)imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-{[2-(dimethylamino)-7-methoxy-3-quinolinyl]methyl}-N-(2-methoxyethyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.2632134
• LogD (pH = 7.4): 2.8088303
• Log P: 2.8233745
• Molar Refractivity: 125.2189 cm^3
• Polarizability: 47.720337 Å^3
• Polar Surface Area: 72.2 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.64
• LOG S: -3.96
• Polar Surface Area: 72.2 Å^2
• Rotatable Bonds: 5