6-methoxyquinoline-2-carbaldehyde

• ChemBase ID: 119520
• Molecular Formular: C11H9NO2
• Molecular Mass: 187.19466
• Monoisotopic Mass: 187.06332853
• SMILES: n1c2c(cc(cc2)OC)ccc1C=O
• Canonical SMILES: COc1ccc2c(c1)ccc(n2)C=O
• InChI: InChI=1S/C11H9NO2/c1-14-10-4-5-11-8(6-10)2-3-9(7-13)12-11/h2-7H,1H3
• InChIKey: AYIIFDAAXPMDAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxyquinoline-2-carbaldehyde
• IUPAC Traditional name: 6-methoxyquinoline-2-carbaldehyde
• Synonyms: 6-methoxyquinoline-2-carbaldehyde

Database IDs

• PubChem SID: 162107642
• PubChem CID: 1548872

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3588321
• LogD (pH = 7.4): 2.3602564
• Log P: 2.3602746
• Molar Refractivity: 52.6413 cm^3
• Polarizability: 21.370846 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true