N-[4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl]-2-methoxybenzamide

• ChemBase ID: 729395
• Molecular Formular: C23H20N2O4
• Molecular Mass: 388.4159
• Monoisotopic Mass: 388.14230713
• SMILES: c12NC(=O)CC(c1ccc(NC(=O)c1c(OC)cccc1)c2)c1ccc(cc1)O
• Canonical SMILES: COc1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)CC2c1ccc(cc1)O
• InChI: InChI=1S/C23H20N2O4/c1-29-21-5-3-2-4-18(21)23(28)24-15-8-11-17-19(13-22(27)25-20(17)12-15)14-6-9-16(26)10-7-14/h2-12,19,26H,13H2,1H3,(H,24,28)(H,25,27)
• InChIKey: RYOAHZJDOVSLML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl]-2-methoxybenzamide
• IUPAC Traditional name: N-[4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methoxybenzamide
• Synonyms: N-[4-(4-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl]-2-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.496777
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 3.5680466
• LogD (pH = 7.4): 3.5646489
• Log P: 3.5680902
• Molar Refractivity: 112.8071 cm^3
• Polarizability: 41.64019 Å^3
• Polar Surface Area: 87.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 2.83
• LOG S: -3.87
• Polar Surface Area: 87.66 Å^2
• Rotatable Bonds: 4