ethyl 4-amino-7-methoxyquinoline-3-carboxylate

• ChemBase ID: 120151
• Molecular Formular: C13H14N2O3
• Molecular Mass: 246.26186
• Monoisotopic Mass: 246.10044232
• SMILES: c1(c(c2c(nc1)cc(cc2)OC)N)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cnc2c(c1N)ccc(c2)OC
• InChI: InChI=1S/C13H14N2O3/c1-3-18-13(16)10-7-15-11-6-8(17-2)4-5-9(11)12(10)14/h4-7H,3H2,1-2H3,(H2,14,15)
• InChIKey: ZBMOGYNJVAQNMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-amino-7-methoxyquinoline-3-carboxylate
• IUPAC Traditional name: ethyl 4-amino-7-methoxyquinoline-3-carboxylate
• Synonyms: ethyl 4-amino-7-methoxyquinoline-3-carboxylate

Database IDs

• PubChem SID: 162214504
• PubChem CID: 50877291

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0112695
• LogD (pH = 7.4): 2.003957
• Log P: 2.1545882
• Molar Refractivity: 67.9168 cm^3
• Polarizability: 26.854494 Å^3
• Polar Surface Area: 74.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds