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

• ChemBase ID: 830215
• Molecular Formular: C22H19NO3
• Molecular Mass: 345.39116
• Monoisotopic Mass: 345.13649347
• SMILES: c12C(c3c(c4ccccc4)cccc3)CC(=O)Nc1cc(c(c2)O)OC
• Canonical SMILES: COc1cc2NC(=O)CC(c2cc1O)c1ccccc1c1ccccc1
• InChI: InChI=1S/C22H19NO3/c1-26-21-13-19-18(11-20(21)24)17(12-22(25)23-19)16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-11,13,17,24H,12H2,1H3,(H,23,25)
• InChIKey: OEGQZLJLVWBZAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Log P: 4.1234307
• Molar Refractivity: 102.4098 cm^3
• Polarizability: 40.00828 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 9.833859
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.1234107
• LogD (pH = 7.4): 4.1218452

供应商提供(Chembridge)

• Log P: 3.67
• LOG S: -4.85
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3
• H Acceptors: 3
• H Donor: 2