4,8-dimethoxy-7-[(3-methylbut-2-en-1-yl)oxy]furo[2,3-b]quinoline

• ChemBase ID: 304727
• Molecular Formular: C18H19NO4
• Molecular Mass: 313.34776
• Monoisotopic Mass: 313.13140809
• SMILES: c1c(c(c2c(c1)c(c1c(n2)occ1)OC)OC)OCC=C(C)C
• Canonical SMILES: COc1c(OCC=C(C)C)ccc2c1nc1occc1c2OC
• InChI: InChI=1S/C18H19NO4/c1-11(2)7-9-22-14-6-5-12-15(17(14)21-4)19-18-13(8-10-23-18)16(12)20-3/h5-8,10H,9H2,1-4H3
• InChIKey: HEMHXTACMCBNFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,8-dimethoxy-7-[(3-methylbut-2-en-1-yl)oxy]furo[2,3-b]quinoline
• IUPAC Traditional name: 4,8-dimethoxy-7-[(3-methylbut-2-en-1-yl)oxy]furo[2,3-b]quinoline
• Synonyms: 8-Methoxy-7-prenyloxydictamnine; 7-Prenyloxy-γ-Fagarine

Database IDs

• CAS Number: 23417-92-7

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.5456436
• LogD (pH = 7.4): 3.5457172
• Log P: 3.5457182
• Molar Refractivity: 87.2808 cm^3
• Polarizability: 35.34685 Å^3
• Polar Surface Area: 53.72 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Yellow powder