6-ethoxy-3-[(4-methoxyphenyl)methyl]-2-methylquinolin-4-ol

• ChemBase ID: 183132
• Molecular Formular: C20H21NO3
• Molecular Mass: 323.38564
• Monoisotopic Mass: 323.15214354
• SMILES: c1(c(c2c(nc1C)ccc(c2)OCC)O)Cc1ccc(cc1)OC
• Canonical SMILES: CCOc1ccc2c(c1)c(O)c(c(n2)C)Cc1ccc(cc1)OC
• InChI: InChI=1S/C20H21NO3/c1-4-24-16-9-10-19-18(12-16)20(22)17(13(2)21-19)11-14-5-7-15(23-3)8-6-14/h5-10,12H,4,11H2,1-3H3,(H,21,22)
• InChIKey: OFPQBTQZTGQBJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethoxy-3-[(4-methoxyphenyl)methyl]-2-methylquinolin-4-ol
• IUPAC Traditional name: 6-ethoxy-3-[(4-methoxyphenyl)methyl]-2-methylquinolin-4-ol

Database IDs

• PubChem SID: 164239042
• PubChem CID: 928225

CALCULATED PROPERTIES

• Acid pKa: 11.088805
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.088282
• LogD (pH = 7.4): 4.09183
• Log P: 4.0919647
• Molar Refractivity: 93.9639 cm^3
• Polarizability: 37.5639 Å^3
• Polar Surface Area: 51.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds