4-(4-fluoro-2-hydroxyphenyl)-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-one

• ChemBase ID: 555716
• Molecular Formular: C17H16FNO4
• Molecular Mass: 317.3116432
• Monoisotopic Mass: 317.10633622
• SMILES: c12C(c3c(cc(cc3)F)O)CC(=O)Nc1cc(cc2OC)OC
• Canonical SMILES: COc1cc(OC)c2c(c1)NC(=O)CC2c1ccc(cc1O)F
• InChI: InChI=1S/C17H16FNO4/c1-22-10-6-13-17(15(7-10)23-2)12(8-16(21)19-13)11-4-3-9(18)5-14(11)20/h3-7,12,20H,8H2,1-2H3,(H,19,21)
• InChIKey: DZFKONZMYCPISF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-fluoro-2-hydroxyphenyl)-5,7-dimethoxy-1,2,3,4-tetrahydroquinolin-2-one
• IUPAC Traditional name: 4-(4-fluoro-2-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
• Synonyms: 4-(4-fluoro-2-hydroxyphenyl)-5,7-dimethoxy-3,4-dihydroquinolin-2(1H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.326203
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.4605927
• LogD (pH = 7.4): 2.4129353
• Log P: 2.461236
• Molar Refractivity: 83.9532 cm^3
• Polarizability: 31.266582 Å^3
• Polar Surface Area: 67.79 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.53
• LOG S: -3.09
• Polar Surface Area: 67.79 Å^2
• Rotatable Bonds: 3