2-chloro-5,8-dimethoxyquinoline-3-carbaldehyde

• ChemBase ID: 309819
• Molecular Formular: C12H10ClNO3
• Molecular Mass: 251.6657
• Monoisotopic Mass: 251.03492087
• SMILES: n1c2c(cc(c1Cl)C=O)c(ccc2OC)OC
• Canonical SMILES: COc1ccc(c2c1cc(C=O)c(n2)Cl)OC
• InChI: InChI=1S/C12H10ClNO3/c1-16-9-3-4-10(17-2)11-8(9)5-7(6-15)12(13)14-11/h3-6H,1-2H3
• InChIKey: KYZIUIXHMHLEPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5,8-dimethoxyquinoline-3-carbaldehyde
• IUPAC Traditional name: 2-chloro-5,8-dimethoxyquinoline-3-carbaldehyde
• Synonyms: 2-chloro-5,8-dimethoxy-3-quinolinecarbaldehyde

Database IDs

• CAS Number: 154343-51-8
• MDL Number: MFCD02995307

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.352282
• LogD (pH = 7.4): 2.352282
• Log P: 2.352282
• Molar Refractivity: 65.3558 cm^3
• Polarizability: 25.828049 Å^3
• Polar Surface Area: 48.42 Å^2