4,8-dimethoxyfuro[2,3-b]quinolin-7-yl 3,4,5-trimethoxybenzoate

• ChemBase ID: 184136
• Molecular Formular: C23H21NO8
• Molecular Mass: 439.41474
• Monoisotopic Mass: 439.12671664
• SMILES: c12nc3c(c(c1ccc(c2OC)OC(=O)c1cc(c(c(c1)OC)OC)OC)OC)cco3
• Canonical SMILES: COc1cc(cc(c1OC)OC)C(=O)Oc1ccc2c(c1OC)nc1c(c2OC)cco1
• InChI: InChI=1S/C23H21NO8/c1-26-16-10-12(11-17(27-2)20(16)29-4)23(25)32-15-7-6-13-18(21(15)30-5)24-22-14(8-9-31-22)19(13)28-3/h6-11H,1-5H3
• InChIKey: HPTABMIUROHMOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,8-dimethoxyfuro[2,3-b]quinolin-7-yl 3,4,5-trimethoxybenzoate
• IUPAC Traditional name: 4,8-dimethoxyfuro[2,3-b]quinolin-7-yl 3,4,5-trimethoxybenzoate

Database IDs

• PubChem SID: 164240046
• PubChem CID: 1778911

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 3.5303066
• LogD (pH = 7.4): 3.5305617
• Log P: 3.530565
• Molar Refractivity: 112.8919 cm^3
• Polarizability: 45.429985 Å^3
• Polar Surface Area: 98.48 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds