6-methoxyquinoline-3-carbaldehyde

• ChemBase ID: 804672
• Molecular Formular: C11H9NO2
• Molecular Mass: 187.19466
• Monoisotopic Mass: 187.06332853
• SMILES: c1cc2c(cc1OC)cc(cn2)C=O
• Canonical SMILES: COc1ccc2c(c1)cc(cn2)C=O
• InChI: InChI=1S/C11H9NO2/c1-14-10-2-3-11-9(5-10)4-8(7-13)6-12-11/h2-7H,1H3
• InChIKey: XUZDZJCVUKXINT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxyquinoline-3-carbaldehyde
• IUPAC Traditional name: 6-methoxyquinoline-3-carbaldehyde
• Synonyms: 6-METHOXYQUINOLINE-3-CARBOXALDEHYDE

Database IDs

• CAS Number: 13669-60-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6823397
• LogD (pH = 7.4): 1.6856886
• Log P: 1.6857315
• Molar Refractivity: 53.0265 cm^3
• Polarizability: 21.366545 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%