8-methylquinoline-5-carbaldehyde

• ChemBase ID: 58911
• Molecular Formular: C11H9NO
• Molecular Mass: 171.19526
• Monoisotopic Mass: 171.06841391
• SMILES: c1cc(c2c(c1C=O)cccn2)C
• Canonical SMILES: O=Cc1ccc(c2c1cccn2)C
• InChI: InChI=1S/C11H9NO/c1-8-4-5-9(7-13)10-3-2-6-12-11(8)10/h2-7H,1H3
• InChIKey: QQTHKBNASKENCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methylquinoline-5-carbaldehyde
• IUPAC Traditional name: 8-methylquinoline-5-carbaldehyde
• Synonyms: 8-Methylquinoline-5-carbaldehyde; 8-methyl-5-quinolinecarbaldehyde

Database IDs

• CAS Number: 1211501-08-4
• MDL Number: MFCD15204350
• PubChem SID: 162063674
• PubChem CID: 51072173

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3555377
• LogD (pH = 7.4): 2.356808
• Log P: 2.3568242
• Molar Refractivity: 51.6045 cm^3
• Polarizability: 20.654226 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%