4-methoxy-1-methyl-1,2-dihydroquinolin-2-one

• ChemBase ID: 305984
• Molecular Formular: C11H11NO2
• Molecular Mass: 189.21054
• Monoisotopic Mass: 189.0789786
• SMILES: c1ccc2c(c1)c(cc(=O)n2C)OC
• Canonical SMILES: COc1cc(=O)n(c2c1cccc2)C
• InChI: InChI=1S/C11H11NO2/c1-12-9-6-4-3-5-8(9)10(14-2)7-11(12)13/h3-7H,1-2H3
• InChIKey: SPBLFONLHXBBQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-1-methyl-1,2-dihydroquinolin-2-one
• IUPAC Traditional name: 4-methoxy-1-methylquinolin-2-one
• Synonyms: 4-Methoxy-1-methylquinolin-2-one

Database IDs

• CAS Number: 32262-18-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.82048887
• LogD (pH = 7.4): 0.8204889
• Log P: 0.8204889
• Molar Refractivity: 55.0386 cm^3
• Polarizability: 20.514832 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder