4-(7-hydroxyquinolin-3-yl)-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-one

• ChemBase ID: 856622
• Molecular Formular: C20H18N2O4
• Molecular Mass: 350.36792
• Monoisotopic Mass: 350.12665707
• SMILES: c12C(c3cc4c(nc3)cc(cc4)O)CC(=O)Nc1cc(cc2OC)OC
• Canonical SMILES: COc1cc(OC)c2c(c1)NC(=O)CC2c1cnc2c(c1)ccc(c2)O
• InChI: InChI=1S/C20H18N2O4/c1-25-14-7-17-20(18(8-14)26-2)15(9-19(24)22-17)12-5-11-3-4-13(23)6-16(11)21-10-12/h3-8,10,15,23H,9H2,1-2H3,(H,22,24)
• InChIKey: IEODUYUAZUIXIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(7-hydroxyquinolin-3-yl)-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-one
• IUPAC Traditional name: 4-(7-hydroxyquinolin-3-yl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
• Synonyms: 7-hydroxy-5',7'-dimethoxy-3',4'-dihydro-3,4'-biquinolin-2'(1'H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.783535
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.421266
• LogD (pH = 7.4): 2.4575841
• Log P: 2.4761887
• Molar Refractivity: 97.6581 cm^3
• Polarizability: 38.156837 Å^3
• Polar Surface Area: 80.68 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.89
• LOG S: -3.64
• Polar Surface Area: 80.68 Å^2
• Rotatable Bonds: 3