ethyl 2,4-dimethyl-2H,3H-furo[3,2-c]quinoline-8-carboxylate

• ChemBase ID: 187594
• Molecular Formular: C16H17NO3
• Molecular Mass: 271.31108
• Monoisotopic Mass: 271.12084341
• SMILES: c12c(c(nc3c1cc(C(=O)OCC)cc3)C)CC(O2)C
• Canonical SMILES: CCOC(=O)c1ccc2c(c1)c1OC(Cc1c(n2)C)C
• InChI: InChI=1S/C16H17NO3/c1-4-19-16(18)11-5-6-14-13(8-11)15-12(10(3)17-14)7-9(2)20-15/h5-6,8-9H,4,7H2,1-3H3
• InChIKey: LZZRUXBWUMXCNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2,4-dimethyl-2H,3H-furo[3,2-c]quinoline-8-carboxylate
• IUPAC Traditional name: ethyl 2,4-dimethyl-2H,3H-furo[3,2-c]quinoline-8-carboxylate

Database IDs

• PubChem SID: 164243504
• PubChem CID: 2877576

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.077438
• LogD (pH = 7.4): 2.8866975
• Log P: 2.9213479
• Molar Refractivity: 75.5363 cm^3
• Polarizability: 30.359507 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds