methyl 4-amino-2-methylquinoline-6-carboxylate

• ChemBase ID: 123219
• Molecular Formular: C12H12N2O2
• Molecular Mass: 216.23588
• Monoisotopic Mass: 216.08987763
• SMILES: c12c(nc(cc2N)C)ccc(c1)C(=O)OC
• Canonical SMILES: COC(=O)c1ccc2c(c1)c(N)cc(n2)C
• InChI: InChI=1S/C12H12N2O2/c1-7-5-10(13)9-6-8(12(15)16-2)3-4-11(9)14-7/h3-6H,1-2H3,(H2,13,14)
• InChIKey: GCWAAIDZQLXZNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162217572
• PubChem CID: 33730475

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.3456403
• LogD (pH = 7.4): 0.36225563
• Log P: 1.4368217
• Molar Refractivity: 61.2965 cm^3
• Polarizability: 24.26052 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true