6-methylquinoline-5-carbaldehyde

• ChemBase ID: 309189
• Molecular Formular: C11H9NO
• Molecular Mass: 171.19526
• Monoisotopic Mass: 171.06841391
• SMILES: c1(c2c(nccc2)ccc1C)C=O
• Canonical SMILES: O=Cc1c(C)ccc2c1cccn2
• InChI: InChI=1S/C11H9NO/c1-8-4-5-11-9(10(8)7-13)3-2-6-12-11/h2-7H,1H3
• InChIKey: POMOLFSWXMCPFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylquinoline-5-carbaldehyde
• IUPAC Traditional name: 6-methylquinoline-5-carbaldehyde
• Synonyms: 6-methyl-5-quinolinecarbaldehyde

Database IDs

• CAS Number: 1211489-16-5
• MDL Number: MFCD15204351

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3549967
• LogD (pH = 7.4): 2.356801
• Log P: 2.3568242
• Molar Refractivity: 51.6045 cm^3
• Polarizability: 20.653316 Å^3
• Polar Surface Area: 29.96 Å^2