6-methoxyquinoline-4-carbaldehyde

• ChemBase ID: 287681
• Molecular Formular: C11H9NO2
• Molecular Mass: 187.19466
• Monoisotopic Mass: 187.06332853
• SMILES: COc1cc2c(cc1)nccc2C=O
• Canonical SMILES: COc1ccc2c(c1)c(C=O)ccn2
• InChI: InChI=1S/C11H9NO2/c1-14-9-2-3-11-10(6-9)8(7-13)4-5-12-11/h2-7H,1H3
• InChIKey: PDGKZDPIWAKVLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxyquinoline-4-carbaldehyde
• IUPAC Traditional name: 6-methoxyquinoline-4-carbaldehyde
• Synonyms: 6-Methoxyquinoline-4-carbaldehyde

Database IDs

• CAS Number: 4363-94-4
• MDL Number: MFCD06824393
• PubChem SID: 180673212
• PubChem CID: 219312

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.685019
• LogD (pH = 7.4): 1.6857226
• Log P: 1.6857315
• Molar Refractivity: 53.0265 cm^3
• Polarizability: 21.368786 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%