1-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-3-methylbutane-2,3-diol

• ChemBase ID: 119576
• Molecular Formular: C18H21NO6
• Molecular Mass: 347.36244
• Monoisotopic Mass: 347.1368874
• SMILES: c12nc3c(c(c1ccc(c2OC)OCC(C(O)(C)C)O)OC)cco3
• Canonical SMILES: COc1c(OCC(C(O)(C)C)O)ccc2c1nc1occc1c2OC
• InChI: InChI=1S/C18H21NO6/c1-18(2,21)13(20)9-25-12-6-5-10-14(16(12)23-4)19-17-11(7-8-24-17)15(10)22-3/h5-8,13,20-21H,9H2,1-4H3
• InChIKey: FGANMDNHTVJAHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-3-methylbutane-2,3-diol
• IUPAC Traditional name: evoxine
• Synonyms: Evoxine; 1-((4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy)-3-methylbutane-2,3-diol

Database IDs

• CAS Number: 522-11-2
• PubChem SID: 162102625
• PubChem CID: 73416
• Chemspider ID: 66130
• Wikipedia Title: Evoxine

CALCULATED PROPERTIES

• Acid pKa: 13.196435
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 1.5611113
• LogD (pH = 7.4): 1.5611852
• Log P: 1.5611869
• Molar Refractivity: 89.4744 cm^3
• Polarizability: 36.82941 Å^3
• Polar Surface Area: 94.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Legal Status: Legal