2-methyl-6-(3-methylbutoxy)-3-propylquinolin-4-ol

• ChemBase ID: 183645
• Molecular Formular: C18H25NO2
• Molecular Mass: 287.3966
• Monoisotopic Mass: 287.18852905
• SMILES: c12c(c(c(nc1ccc(c2)OCCC(C)C)C)CCC)O
• Canonical SMILES: CCCc1c(C)nc2c(c1O)cc(cc2)OCCC(C)C
• InChI: InChI=1S/C18H25NO2/c1-5-6-15-13(4)19-17-8-7-14(11-16(17)18(15)20)21-10-9-12(2)3/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,19,20)
• InChIKey: OGARWEWWFNLBGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-(3-methylbutoxy)-3-propylquinolin-4-ol
• IUPAC Traditional name: 2-methyl-6-(3-methylbutoxy)-3-propylquinolin-4-ol

Database IDs

• PubChem SID: 164239555
• PubChem CID: 826065

CALCULATED PROPERTIES

• Acid pKa: 11.268095
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.810273
• LogD (pH = 7.4): 4.814399
• Log P: 4.814511
• Molar Refractivity: 85.6803 cm^3
• Polarizability: 34.677666 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds