8-methoxy-2,4-dimethyl-2H,3H-furo[3,2-c]quinoline

• ChemBase ID: 187292
• Molecular Formular: C14H15NO2
• Molecular Mass: 229.2744
• Monoisotopic Mass: 229.11027873
• SMILES: c12c(c(nc3c1cc(cc3)OC)C)CC(O2)C
• Canonical SMILES: COc1ccc2c(c1)c1OC(Cc1c(n2)C)C
• InChI: InChI=1S/C14H15NO2/c1-8-6-11-9(2)15-13-5-4-10(16-3)7-12(13)14(11)17-8/h4-5,7-8H,6H2,1-3H3
• InChIKey: IGBLKXMOCQGDCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-2,4-dimethyl-2H,3H-furo[3,2-c]quinoline
• IUPAC Traditional name: 8-methoxy-2,4-dimethyl-2H,3H-furo[3,2-c]quinoline

Database IDs

• PubChem SID: 164243202
• PubChem CID: 2877133

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1663016
• LogD (pH = 7.4): 2.2980714
• Log P: 2.4033916
• Molar Refractivity: 65.2256 cm^3
• Polarizability: 26.62823 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds