3-(3-hydroxyphenyl)-1H,2H,3H,4H-benzo[f]quinolin-1-one

• ChemBase ID: 311218
• Molecular Formular: C19H15NO2
• Molecular Mass: 289.3279
• Monoisotopic Mass: 289.11027873
• SMILES: c12C(=O)CC(Nc1ccc1c2cccc1)c1cc(O)ccc1
• Canonical SMILES: Oc1cccc(c1)C1CC(=O)c2c(N1)ccc1c2cccc1
• InChI: InChI=1S/C19H15NO2/c21-14-6-3-5-13(10-14)17-11-18(22)19-15-7-2-1-4-12(15)8-9-16(19)20-17/h1-10,17,20-21H,11H2
• InChIKey: QLTUILRZWVWQLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-hydroxyphenyl)-1H,2H,3H,4H-benzo[f]quinolin-1-one
• IUPAC Traditional name: 3-(3-hydroxyphenyl)-2H,3H,4H-benzo[f]quinolin-1-one
• Synonyms: 3-(3-hydroxyphenyl)-3,4-dihydrobenzo[f]quinolin-1(2H)-one

Database IDs

• CAS Number: 333759-52-7
• MDL Number: MFCD01540875

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.062078
• LogD (pH = 7.4): 4.0578895
• Log P: 4.062165
• Molar Refractivity: 87.5088 cm^3
• Polarizability: 34.062725 Å^3
• Polar Surface Area: 49.33 Å^2