methyl 6-methyl-2-phenylquinoline-4-carboxylate

• ChemBase ID: 192052
• Molecular Formular: C18H15NO2
• Molecular Mass: 277.3172
• Monoisotopic Mass: 277.11027873
• SMILES: c1(c2c(nc(c1)c1ccccc1)ccc(c2)C)C(=O)OC
• Canonical SMILES: COC(=O)c1cc(nc2c1cc(C)cc2)c1ccccc1
• InChI: InChI=1S/C18H15NO2/c1-12-8-9-16-14(10-12)15(18(20)21-2)11-17(19-16)13-6-4-3-5-7-13/h3-11H,1-2H3
• InChIKey: RTUIBFPUMCUVIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-methyl-2-phenylquinoline-4-carboxylate
• IUPAC Traditional name: methyl 6-methyl-2-phenylquinoline-4-carboxylate

Database IDs

• PubChem SID: 164247962
• PubChem CID: 906055

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.680581
• LogD (pH = 7.4): 4.680871
• Log P: 4.6808743
• Molar Refractivity: 81.81 cm^3
• Polarizability: 34.201694 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds