7-hydroxy-6-methoxy-4-(quinolin-4-yl)-1,2,3,4-tetrahydroquinolin-2-one

• ChemBase ID: 687073
• Molecular Formular: C19H16N2O3
• Molecular Mass: 320.34194
• Monoisotopic Mass: 320.11609238
• SMILES: c12C(c3c4c(ncc3)cccc4)CC(=O)Nc1cc(c(c2)OC)O
• Canonical SMILES: COc1cc2c(cc1O)NC(=O)CC2c1ccnc2c1cccc2
• InChI: InChI=1S/C19H16N2O3/c1-24-18-8-14-13(9-19(23)21-16(14)10-17(18)22)11-6-7-20-15-5-3-2-4-12(11)15/h2-8,10,13,22H,9H2,1H3,(H,21,23)
• InChIKey: OJOIPIGDHZJINJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-hydroxy-6-methoxy-4-(quinolin-4-yl)-1,2,3,4-tetrahydroquinolin-2-one
• IUPAC Traditional name: 7-hydroxy-6-methoxy-4-(quinolin-4-yl)-3,4-dihydro-1H-quinolin-2-one
• Synonyms: 7-hydroxy-6-methoxy-3,4-dihydro-4,4'-biquinolin-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.614956
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.60087
• LogD (pH = 7.4): 2.6308064
• Log P: 2.6338599
• Molar Refractivity: 91.1949 cm^3
• Polarizability: 35.648014 Å^3
• Polar Surface Area: 71.45 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.97
• LOG S: -3.22
• Polar Surface Area: 71.45 Å^2
• Rotatable Bonds: 2