6-ethyl-4-methyl-1,2-dihydroquinolin-2-one

• ChemBase ID: 308635
• Molecular Formular: C12H13NO
• Molecular Mass: 187.23772
• Monoisotopic Mass: 187.09971404
• SMILES: c1(c2c([nH]c(=O)c1)ccc(c2)CC)C
• Canonical SMILES: CCc1ccc2c(c1)c(C)cc(=O)[nH]2
• InChI: InChI=1S/C12H13NO/c1-3-9-4-5-11-10(7-9)8(2)6-12(14)13-11/h4-7H,3H2,1-2H3,(H,13,14)
• InChIKey: JFYWBUOEUUZAEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-4-methyl-1,2-dihydroquinolin-2-one
• IUPAC Traditional name: 6-ethyl-4-methyl-1H-quinolin-2-one
• Synonyms: 6-ethyl-4-methyl-2(1H)-quinolinone

Database IDs

• CAS Number: 51592-38-2
• MDL Number: MFCD10000799

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.854527
• LogD (pH = 7.4): 2.854527
• Log P: 2.854527
• Molar Refractivity: 59.2034 cm^3
• Polarizability: 21.6038 Å^3
• Polar Surface Area: 29.1 Å^2