4,8-dimethoxyfuro[2,3-b]quinoline

• ChemBase ID: 179742
• Molecular Formular: C13H11NO3
• Molecular Mass: 229.23134
• Monoisotopic Mass: 229.07389322
• SMILES: n1c2c(c(c3c1c(OC)ccc3)OC)cco2
• Canonical SMILES: COc1cccc2c1nc1occc1c2OC
• InChI: InChI=1S/C13H11NO3/c1-15-10-5-3-4-8-11(10)14-13-9(6-7-17-13)12(8)16-2/h3-7H,1-2H3
• InChIKey: KFBCTNNQFGONHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,8-dimethoxyfuro[2,3-b]quinoline
• IUPAC Traditional name: 4,8-dimethoxyfuro[2,3-b]quinoline; fagarine
• Synonyms: Haplopine; 8-Methoxydictamnine; Gamma-Fagarine; 4,8-Dimethoxyfuro[2,3-b]quinoline; γ-Fagarine

Database IDs

• CAS Number: 524-15-2
• PubChem SID: 164235652
• PubChem CID: 107936

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.342095
• LogD (pH = 7.4): 2.3421428
• Log P: 2.3421433
• Molar Refractivity: 61.6994 cm^3
• Polarizability: 25.7058 Å^3
• Polar Surface Area: 44.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Pharmacology Properties

• Mechanism of Action: Antifibrillator

Product Information

• Purity: 99.0
• Biological Source: Alkaloid from Fagara coco, Aegle marmelos and Haplophyllum spp. (Rutaceae)
• Application(s): Antiaggregant; Antileishmanial