3-ethyl-6-methoxy-2-methylquinolin-4-ol

• ChemBase ID: 185379
• Molecular Formular: C13H15NO2
• Molecular Mass: 217.2637
• Monoisotopic Mass: 217.11027873
• SMILES: c12c(c(c(nc1ccc(c2)OC)C)CC)O
• Canonical SMILES: CCc1c(C)nc2c(c1O)cc(cc2)OC
• InChI: InChI=1S/C13H15NO2/c1-4-10-8(2)14-12-6-5-9(16-3)7-11(12)13(10)15/h5-7H,4H2,1-3H3,(H,14,15)
• InChIKey: WEJBGCJOPKKZQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-6-methoxy-2-methylquinolin-4-ol
• IUPAC Traditional name: 3-ethyl-6-methoxy-2-methylquinolin-4-ol

Database IDs

• PubChem SID: 164241289
• PubChem CID: 928944

CALCULATED PROPERTIES

• Acid pKa: 11.286903
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7547166
• LogD (pH = 7.4): 2.7589135
• Log P: 2.7590241
• Molar Refractivity: 62.6571 cm^3
• Polarizability: 25.447088 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds