1H,2H,3H,4H-benzo[g]quinolin-4-one

• ChemBase ID: 310633
• Molecular Formular: C13H11NO
• Molecular Mass: 197.23254
• Monoisotopic Mass: 197.08406398
• SMILES: c12c(cc3c(c1)cccc3)NCCC2=O
• Canonical SMILES: O=C1CCNc2c1cc1ccccc1c2
• InChI: InChI=1S/C13H11NO/c15-13-5-6-14-12-8-10-4-2-1-3-9(10)7-11(12)13/h1-4,7-8,14H,5-6H2
• InChIKey: AIBRSQPCCIXKIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 21516-07-4
• MDL Number: MFCD00552977

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.580897
• LogD (pH = 7.4): 2.581477
• Log P: 2.58149
• Molar Refractivity: 61.2451 cm^3
• Polarizability: 23.874037 Å^3
• Polar Surface Area: 29.1 Å^2