7-ethoxy-4-(6-methoxypyridin-3-yl)-1,2,3,4-tetrahydroquinolin-2-one

• ChemBase ID: 776325
• Molecular Formular: C17H18N2O3
• Molecular Mass: 298.33642
• Monoisotopic Mass: 298.13174245
• SMILES: c12NC(=O)CC(c1ccc(c2)OCC)c1cnc(cc1)OC
• Canonical SMILES: CCOc1ccc2c(c1)NC(=O)CC2c1ccc(nc1)OC
• InChI: InChI=1S/C17H18N2O3/c1-3-22-12-5-6-13-14(9-16(20)19-15(13)8-12)11-4-7-17(21-2)18-10-11/h4-8,10,14H,3,9H2,1-2H3,(H,19,20)
• InChIKey: SANQYCDOSPNPDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-ethoxy-4-(6-methoxypyridin-3-yl)-1,2,3,4-tetrahydroquinolin-2-one
• IUPAC Traditional name: 7-ethoxy-4-(6-methoxypyridin-3-yl)-3,4-dihydro-1H-quinolin-2-one
• Synonyms: 7-ethoxy-4-(6-methoxypyridin-3-yl)-3,4-dihydroquinolin-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.407128
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3550441
• LogD (pH = 7.4): 2.3556838
• Log P: 2.3556924
• Molar Refractivity: 84.6611 cm^3
• Polarizability: 31.893528 Å^3
• Polar Surface Area: 60.45 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: 2.78
• LOG S: -3.75
• Polar Surface Area: 60.45 Å^2
• Rotatable Bonds: 4