5,7-dimethoxy-4-{3-methylimidazo[1,5-a]pyridin-1-yl}-1,2,3,4-tetrahydroquinolin-2-one

• ChemBase ID: 314805
• Molecular Formular: C19H19N3O3
• Molecular Mass: 337.37246
• Monoisotopic Mass: 337.14264148
• SMILES: c1(nc(n2c1cccc2)C)C1c2c(NC(=O)C1)cc(cc2OC)OC
• Canonical SMILES: COc1cc(OC)c2c(c1)NC(=O)CC2c1nc(n2c1cccc2)C
• InChI: InChI=1S/C19H19N3O3/c1-11-20-19(15-6-4-5-7-22(11)15)13-10-17(23)21-14-8-12(24-2)9-16(25-3)18(13)14/h4-9,13H,10H2,1-3H3,(H,21,23)
• InChIKey: VFWVGWGXCUZBBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethoxy-4-{3-methylimidazo[1,5-a]pyridin-1-yl}-1,2,3,4-tetrahydroquinolin-2-one
• IUPAC Traditional name: 5,7-dimethoxy-4-{3-methylimidazo[1,5-a]pyridin-1-yl}-3,4-dihydro-1H-quinolin-2-one
• Synonyms: 5,7-dimethoxy-4-(3-methylimidazo[1,5-a]pyridin-1-yl)-3,4-dihydroquinolin-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.089628
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.16149196
• LogD (pH = 7.4): 0.78835714
• Log P: 1.3132071
• Molar Refractivity: 96.0774 cm^3
• Polarizability: 36.336193 Å^3
• Polar Surface Area: 64.86 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.06
• LOG S: -3.42
• Polar Surface Area: 64.86 Å^2
• Rotatable Bonds: 3