4-chloro-1,3-diphenyl-1,2-dihydroquinolin-2-one

• ChemBase ID: 85060
• Molecular Formular: C21H14ClNO
• Molecular Mass: 331.79496
• Monoisotopic Mass: 331.07639175
• SMILES: n1(c2ccccc2)c(=O)c(c(c2ccccc12)Cl)c1ccccc1
• Canonical SMILES: Clc1c(c2ccccc2)c(=O)n(c2c1cccc2)c1ccccc1
• InChI: InChI=1S/C21H14ClNO/c22-20-17-13-7-8-14-18(17)23(16-11-5-2-6-12-16)21(24)19(20)15-9-3-1-4-10-15/h1-14H
• InChIKey: DFXZUZIUJXQRRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-1,3-diphenyl-1,2-dihydroquinolin-2-one
• IUPAC Traditional name: 4-chloro-1,3-diphenylquinolin-2-one
• Synonyms: 4-chloro-1,3-diphenyl-1,2-dihydroquinolin-2-one

Database IDs

• MDL Number: MFCD00275626
• PubChem SID: 162072176
• PubChem CID: 2784994

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.9413176
• LogD (pH = 7.4): 4.9413176
• Log P: 4.9413176
• Molar Refractivity: 97.341 cm^3
• Polarizability: 37.226845 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true