6,8-dimethyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde

• ChemBase ID: 308230
• Molecular Formular: C12H11NO2
• Molecular Mass: 201.22124
• Monoisotopic Mass: 201.0789786
• SMILES: [nH]1c(=O)c(cc2c1c(cc(c2)C)C)C=O
• Canonical SMILES: O=Cc1cc2cc(C)cc(c2[nH]c1=O)C
• InChI: InChI=1S/C12H11NO2/c1-7-3-8(2)11-9(4-7)5-10(6-14)12(15)13-11/h3-6H,1-2H3,(H,13,15)
• InChIKey: SGLNASSZZCFBTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-dimethyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde
• IUPAC Traditional name: 6,8-dimethyl-2-oxo-1H-quinoline-3-carbaldehyde
• Synonyms: 6,8-dimethyl-2-oxo-1,2-dihydro-3-quinolinecarbaldehyde

Database IDs

• CAS Number: 332883-19-9
• MDL Number: MFCD13881264

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.052612
• LogD (pH = 7.4): 2.0526116
• Log P: 2.052612
• Molar Refractivity: 60.5105 cm^3
• Polarizability: 21.59107 Å^3
• Polar Surface Area: 46.17 Å^2