7-methoxy-2H,3H-furo[2,3-b]quinoline

• ChemBase ID: 213018
• Molecular Formular: C12H11NO2
• Molecular Mass: 201.22124
• Monoisotopic Mass: 201.0789786
• SMILES: n1c2c(cc3c1cc(cc3)OC)CCO2
• Canonical SMILES: COc1ccc2c(c1)nc1c(c2)CCO1
• InChI: InChI=1S/C12H11NO2/c1-14-10-3-2-8-6-9-4-5-15-12(9)13-11(8)7-10/h2-3,6-7H,4-5H2,1H3
• InChIKey: CJRXDGACBICTPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-2H,3H-furo[2,3-b]quinoline
• IUPAC Traditional name: 7-methoxy-2H,3H-furo[2,3-b]quinoline

Database IDs

• PubChem SID: 164268928
• PubChem CID: 608484

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.448517
• LogD (pH = 7.4): 2.4498866
• Log P: 2.449904
• Molar Refractivity: 56.5288 cm^3
• Polarizability: 23.01963 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