methyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate

• ChemBase ID: 192624
• Molecular Formular: C19H17NO3
• Molecular Mass: 307.34318
• Monoisotopic Mass: 307.12084341
• SMILES: c1(c2c(nc(c1)c1ccc(cc1)OC)ccc(c2)C)C(=O)OC
• Canonical SMILES: COC(=O)c1cc(nc2c1cc(C)cc2)c1ccc(cc1)OC
• InChI: InChI=1S/C19H17NO3/c1-12-4-9-17-15(10-12)16(19(21)23-3)11-18(20-17)13-5-7-14(22-2)8-6-13/h4-11H,1-3H3
• InChIKey: RZHNCJWJYJDSPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
• IUPAC Traditional name: methyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate

Database IDs

• PubChem SID: 164248534
• PubChem CID: 698713

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.522832
• LogD (pH = 7.4): 4.5231986
• Log P: 4.5232034
• Molar Refractivity: 88.2732 cm^3
• Polarizability: 36.66322 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