3-ethyl-2,8-dimethylquinolin-4-ol

• ChemBase ID: 181384
• Molecular Formular: C13H15NO
• Molecular Mass: 201.2643
• Monoisotopic Mass: 201.11536411
• SMILES: n1c2c(c(c(c1C)CC)O)cccc2C
• Canonical SMILES: CCc1c(C)nc2c(c1O)cccc2C
• InChI: InChI=1S/C13H15NO/c1-4-10-9(3)14-12-8(2)6-5-7-11(12)13(10)15/h5-7H,4H2,1-3H3,(H,14,15)
• InChIKey: BLJLWUBLPRLWGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-2,8-dimethylquinolin-4-ol
• IUPAC Traditional name: 3-ethyl-2,8-dimethylquinolin-4-ol

Database IDs

• PubChem SID: 164237294
• PubChem CID: 760851

CALCULATED PROPERTIES

• Acid pKa: 11.387782
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4262545
• LogD (pH = 7.4): 3.4300237
• Log P: 3.4301167
• Molar Refractivity: 61.2351 cm^3
• Polarizability: 24.735495 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds