4-chloro-1-phenyl-1,2-dihydroquinolin-2-one

• ChemBase ID: 79901
• Molecular Formular: C15H10ClNO
• Molecular Mass: 255.699
• Monoisotopic Mass: 255.04509163
• SMILES: n1(c2ccccc2)c(=O)cc(c2ccccc12)Cl
• Canonical SMILES: Clc1cc(=O)n(c2c1cccc2)c1ccccc1
• InChI: InChI=1S/C15H10ClNO/c16-13-10-15(18)17(11-6-2-1-3-7-11)14-9-5-4-8-12(13)14/h1-10H
• InChIKey: LQQXNEIPXXGEJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-1-phenyl-1,2-dihydroquinolin-2-one
• IUPAC Traditional name: 4-chloro-1-phenylquinolin-2-one
• Synonyms: 4-chloro-1-phenyl-1,2-dihydroquinolin-2-one; 4-chloro-1-phenylquinolin-2(1H)-one

Database IDs

• MDL Number: MFCD00218544
• PubChem SID: 162044664
• PubChem CID: 968913

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2732298
• LogD (pH = 7.4): 3.27323
• Log P: 3.27323
• Molar Refractivity: 72.8889 cm^3
• Polarizability: 27.549099 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true