2-(3,4-dimethoxyphenyl)-N-(2-methoxyphenyl)quinoline-4-carboxamide

• ChemBase ID: 191705
• Molecular Formular: C25H22N2O4
• Molecular Mass: 414.45318
• Monoisotopic Mass: 414.15795719
• SMILES: C(=O)(c1cc(nc2c1cccc2)c1cc(c(cc1)OC)OC)Nc1c(OC)cccc1
• Canonical SMILES: COc1cc(ccc1OC)c1nc2ccccc2c(c1)C(=O)Nc1ccccc1OC
• InChI: InChI=1S/C25H22N2O4/c1-29-22-11-7-6-10-20(22)27-25(28)18-15-21(26-19-9-5-4-8-17(18)19)16-12-13-23(30-2)24(14-16)31-3/h4-15H,1-3H3,(H,27,28)
• InChIKey: ZNIJOWCINHUDIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dimethoxyphenyl)-N-(2-methoxyphenyl)quinoline-4-carboxamide
• IUPAC Traditional name: 2-(3,4-dimethoxyphenyl)-N-(2-methoxyphenyl)quinoline-4-carboxamide

Database IDs

• PubChem SID: 164247615
• PubChem CID: 1312044

CALCULATED PROPERTIES

• Acid pKa: 10.92899
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 4.7828293
• LogD (pH = 7.4): 4.782725
• Log P: 4.7828474
• Molar Refractivity: 119.6666 cm^3
• Polarizability: 48.105503 Å^3
• Polar Surface Area: 69.68 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds