2,3-diethyl 6-ethoxyquinoline-2,3-dicarboxylate

• ChemBase ID: 805285
• Molecular Formular: C17H19NO5
• Molecular Mass: 317.33646
• Monoisotopic Mass: 317.12632271
• SMILES: c1cc2c(cc1OCC)cc(c(n2)C(=O)OCC)C(=O)OCC
• Canonical SMILES: CCOc1ccc2c(c1)cc(c(n2)C(=O)OCC)C(=O)OCC
• InChI: InChI=1S/C17H19NO5/c1-4-21-12-7-8-14-11(9-12)10-13(16(19)22-5-2)15(18-14)17(20)23-6-3/h7-10H,4-6H2,1-3H3
• InChIKey: YMKZGXICWLXRTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-diethyl 6-ethoxyquinoline-2,3-dicarboxylate
• IUPAC Traditional name: 2,3-diethyl 6-ethoxyquinoline-2,3-dicarboxylate
• Synonyms: 6-ETHOXYQUINOLINE-2,3-DICARBOXYLIC ACID DIETHYL ESTER

Database IDs

• CAS Number: 948289-80-3

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.2364545
• LogD (pH = 7.4): 3.2364573
• Log P: 3.2364573
• Molar Refractivity: 84.3669 cm^3
• Polarizability: 33.84281 Å^3
• Polar Surface Area: 74.72 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%