ethyl 4-oxo-3-(quinolin-6-yl)-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate

• ChemBase ID: 227070
• Molecular Formular: C23H17NO5
• Molecular Mass: 387.38478
• Monoisotopic Mass: 387.11067265
• SMILES: c12c(OC(C2c2cc3c(nccc3)cc2)C(=O)OCC)c2c(oc1=O)cccc2
• Canonical SMILES: CCOC(=O)C1Oc2c(C1c1ccc3c(c1)cccn3)c(=O)oc1c2cccc1
• InChI: InChI=1S/C23H17NO5/c1-2-27-23(26)21-18(14-9-10-16-13(12-14)6-5-11-24-16)19-20(29-21)15-7-3-4-8-17(15)28-22(19)25/h3-12,18,21H,2H2,1H3
• InChIKey: OBXGNYNHWMFVBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-oxo-3-(quinolin-6-yl)-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate
• IUPAC Traditional name: ethyl 4-oxo-3-(quinolin-6-yl)-2H,3H-furo[3,2-c]chromene-2-carboxylate

Database IDs

• PubChem SID: 164282980
• PubChem CID: 71754208

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8770113
• LogD (pH = 7.4): 2.9132466
• Log P: 2.9137309
• Molar Refractivity: 104.6531 cm^3
• Polarizability: 41.82802 Å^3
• Polar Surface Area: 74.72 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds