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

• ChemBase ID: 220566
• Molecular Formular: C18H15NO3
• Molecular Mass: 293.3166
• Monoisotopic Mass: 293.10519335
• SMILES: c1(cc(nc2c1cccc2)c1ccc(cc1)OC)C(=O)OC
• Canonical SMILES: COc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)OC
• InChI: InChI=1S/C18H15NO3/c1-21-13-9-7-12(8-10-13)17-11-15(18(20)22-2)14-5-3-4-6-16(14)19-17/h3-11H,1-2H3
• InChIKey: WXGONXJMILNNOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164276476
• PubChem CID: 847428

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.009493
• LogD (pH = 7.4): 4.009778
• Log P: 4.009782
• Molar Refractivity: 83.232 cm^3
• Polarizability: 34.899258 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds