ethyl 4-amino-2-methylquinoline-6-carboxylate

• ChemBase ID: 119983
• Molecular Formular: C13H14N2O2
• Molecular Mass: 230.26246
• Monoisotopic Mass: 230.1055277
• SMILES: c12c(nc(cc2N)C)ccc(c1)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1ccc2c(c1)c(N)cc(n2)C
• InChI: InChI=1S/C13H14N2O2/c1-3-17-13(16)9-4-5-12-10(7-9)11(14)6-8(2)15-12/h4-7H,3H2,1-2H3,(H2,14,15)
• InChIKey: COTZCHZLPFDMPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-amino-2-methylquinoline-6-carboxylate
• IUPAC Traditional name: ethyl 4-amino-2-methylquinoline-6-carboxylate
• Synonyms: ethyl 4-amino-2-methylquinoline-6-carboxylate

Database IDs

• PubChem SID: 162108217
• PubChem CID: 16644489

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.011200056
• LogD (pH = 7.4): 0.7195007
• Log P: 1.7936296
• Molar Refractivity: 66.0451 cm^3
• Polarizability: 26.104784 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true