methyl 2-(4-aminophenyl)quinoline-4-carboxylate

• ChemBase ID: 310766
• Molecular Formular: C17H14N2O2
• Molecular Mass: 278.30526
• Monoisotopic Mass: 278.1055277
• SMILES: c1(cc(nc2c1cccc2)c1ccc(N)cc1)C(=O)OC
• Canonical SMILES: COC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)N
• InChI: InChI=1S/C17H14N2O2/c1-21-17(20)14-10-16(11-6-8-12(18)9-7-11)19-15-5-3-2-4-13(14)15/h2-10H,18H2,1H3
• InChIKey: SLJVLRVWOJQKEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(4-aminophenyl)quinoline-4-carboxylate
• IUPAC Traditional name: methyl 2-(4-aminophenyl)quinoline-4-carboxylate
• Synonyms: methyl 2-(4-aminophenyl)quinoline-4-carboxylate

Database IDs

• CAS Number: 94541-55-6
• MDL Number: MFCD00814379

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.3339097
• LogD (pH = 7.4): 3.3384688
• Log P: 3.3385272
• Molar Refractivity: 81.4692 cm^3
• Polarizability: 33.53768 Å^3
• Polar Surface Area: 65.21 Å^2