ethyl 3-(7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate

• ChemBase ID: 227119
• Molecular Formular: C24H19NO7
• Molecular Mass: 433.41016
• Monoisotopic Mass: 433.11615195
• SMILES: c12c(OC(C1c1c(=O)[nH]c3c(c1)ccc(c3)OC)C(=O)OCC)c1c(oc2=O)cccc1
• Canonical SMILES: CCOC(=O)C1Oc2c(C1c1cc3ccc(cc3[nH]c1=O)OC)c(=O)oc1c2cccc1
• InChI: InChI=1S/C24H19NO7/c1-3-30-24(28)21-18(15-10-12-8-9-13(29-2)11-16(12)25-22(15)26)19-20(32-21)14-6-4-5-7-17(14)31-23(19)27/h4-11,18,21H,3H2,1-2H3,(H,25,26)
• InChIKey: YRGLOKCJCQXPLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-(7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate
• IUPAC Traditional name: ethyl 3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-4-oxo-2H,3H-furo[3,2-c]chromene-2-carboxylate

Database IDs

• PubChem SID: 164283029
• PubChem CID: 71754256

CALCULATED PROPERTIES

• Acid pKa: -15.750488
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.17299049
• LogD (pH = 7.4): -0.17277506
• Log P: -2.325508
• Molar Refractivity: 115.7321 cm^3
• Polarizability: 43.612392 Å^3
• Polar Surface Area: 100.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds