ethyl 4-chloro-6,8-dimethoxyquinoline-3-carboxylate

• ChemBase ID: 263393
• Molecular Formular: C14H14ClNO4
• Molecular Mass: 295.71826
• Monoisotopic Mass: 295.06113561
• SMILES: c12c(c(C(=O)OCC)cnc1c(cc(c2)OC)OC)Cl
• Canonical SMILES: CCOC(=O)c1cnc2c(c1Cl)cc(cc2OC)OC
• InChI: InChI=1S/C14H14ClNO4/c1-4-20-14(17)10-7-16-13-9(12(10)15)5-8(18-2)6-11(13)19-3/h5-7H,4H2,1-3H3
• InChIKey: DSGVVCRDDXQCTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-chloro-6,8-dimethoxyquinoline-3-carboxylate
• IUPAC Traditional name: ethyl 4-chloro-6,8-dimethoxyquinoline-3-carboxylate
• Synonyms: ethyl 4-chloro-6,8-dimethoxyquinoline-3-carboxylate

Database IDs

• MDL Number: MFCD09937855
• PubChem SID: 164319303
• PubChem CID: 24698979

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.779884
• LogD (pH = 7.4): 2.7798874
• Log P: 2.7798874
• Molar Refractivity: 74.4844 cm^3
• Polarizability: 30.157814 Å^3
• Polar Surface Area: 57.65 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 148 - 150°C
• Hydrophobicity(logP): 3.442

Product Information

• Purity: 95%