furan-2-ylmethyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

• ChemBase ID: 194880
• Molecular Formular: C23H19NO5
• Molecular Mass: 389.40066
• Monoisotopic Mass: 389.12632271
• SMILES: c1(cc(nc2c1cccc2)c1cc(c(cc1)OC)OC)C(=O)OCc1occc1
• Canonical SMILES: COc1cc(ccc1OC)c1nc2ccccc2c(c1)C(=O)OCc1ccco1
• InChI: InChI=1S/C23H19NO5/c1-26-21-10-9-15(12-22(21)27-2)20-13-18(17-7-3-4-8-19(17)24-20)23(25)29-14-16-6-5-11-28-16/h3-13H,14H2,1-2H3
• InChIKey: DMXOKHJLBHVKEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furan-2-ylmethyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
• IUPAC Traditional name: furan-2-ylmethyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

Database IDs

• PubChem SID: 164250790
• PubChem CID: 1224196

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.6366043
• LogD (pH = 7.4): 4.6368275
• Log P: 4.6368303
• Molar Refractivity: 106.6987 cm^3
• Polarizability: 43.819714 Å^3
• Polar Surface Area: 70.79 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds