1-(3-methylquinoxalin-2-yl)ethan-1-one

• ChemBase ID: 307278
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: n1c(c(nc2c1cccc2)C)C(=O)C
• Canonical SMILES: CC(=O)c1nc2ccccc2nc1C
• InChI: InChI=1S/C11H10N2O/c1-7-11(8(2)14)13-10-6-4-3-5-9(10)12-7/h3-6H,1-2H3
• InChIKey: XXKIXPWTFVBBJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methylquinoxalin-2-yl)ethan-1-one
• IUPAC Traditional name: 1-(3-methylquinoxalin-2-yl)ethanone
• Synonyms: 1-(3-methylquinoxalin-2-yl)ethanone

Database IDs

• CAS Number: 22059-64-9
• MDL Number: MFCD09864318

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3739171
• LogD (pH = 7.4): 1.373946
• Log P: 1.3739464
• Molar Refractivity: 52.0727 cm^3
• Polarizability: 21.58093 Å^3
• Polar Surface Area: 42.85 Å^2