7,8-dimethoxyfuro[2,3-b]quinolin-4-ol

• ChemBase ID: 181558
• Molecular Formular: C13H11NO4
• Molecular Mass: 245.23074
• Monoisotopic Mass: 245.06880784
• SMILES: c12nc3c(c(c1ccc(c2OC)OC)O)cco3
• Canonical SMILES: COc1c(OC)ccc2c1nc1occc1c2O
• InChI: InChI=1S/C13H11NO4/c1-16-9-4-3-7-10(12(9)17-2)14-13-8(11(7)15)5-6-18-13/h3-6H,1-2H3,(H,14,15)
• InChIKey: PREIMPRRBOZNAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,8-dimethoxyfuro[2,3-b]quinolin-4-ol
• IUPAC Traditional name: 7,8-dimethoxyfuro[2,3-b]quinolin-4-ol

Database IDs

• PubChem SID: 164237468
• PubChem CID: 927733

CALCULATED PROPERTIES

• Acid pKa: 8.016912
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0371883
• LogD (pH = 7.4): 1.94654
• Log P: 2.038578
• Molar Refractivity: 63.6803 cm^3
• Polarizability: 26.300016 Å^3
• Polar Surface Area: 64.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Genuine Natural Compounds