1,4-dimethyl-1,2-dihydroquinolin-2-one

• ChemBase ID: 288653
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: O=c1n(C)c2c(cccc2)c(C)c1
• Canonical SMILES: Cc1cc(=O)n(c2c1cccc2)C
• InChI: InChI=1S/C11H11NO/c1-8-7-11(13)12(2)10-6-4-3-5-9(8)10/h3-7H,1-2H3
• InChIKey: CEONKCOBRZOYJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dimethyl-1,2-dihydroquinolin-2-one
• IUPAC Traditional name: 1,4-dimethylquinolin-2-one
• Synonyms: 1,4-Dimethylquinolin-2(1H)-one

Database IDs

• CAS Number: 2584-47-6
• PubChem SID: 180674184
• PubChem CID: 97252

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.760603
• LogD (pH = 7.4): 1.7606031
• Log P: 1.7606031
• Molar Refractivity: 52.6771 cm^3
• Polarizability: 19.838224 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%