6-methoxy-2-methyl-3-(piperidin-1-ylmethyl)quinolin-4-ol

• ChemBase ID: 190662
• Molecular Formular: C17H22N2O2
• Molecular Mass: 286.36878
• Monoisotopic Mass: 286.16812795
• SMILES: c1(c(c2c(nc1C)ccc(c2)OC)O)CN1CCCCC1
• Canonical SMILES: COc1ccc2c(c1)c(O)c(c(n2)C)CN1CCCCC1
• InChI: InChI=1S/C17H22N2O2/c1-12-15(11-19-8-4-3-5-9-19)17(20)14-10-13(21-2)6-7-16(14)18-12/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,18,20)
• InChIKey: ZHIQWIVLBVTWOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2-methyl-3-(piperidin-1-ylmethyl)quinolin-4-ol
• IUPAC Traditional name: 6-methoxy-2-methyl-3-(piperidin-1-ylmethyl)quinolin-4-ol

Database IDs

• PubChem SID: 164246572
• PubChem CID: 608542

CALCULATED PROPERTIES

• Acid pKa: 8.735209
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.7279403
• LogD (pH = 7.4): 0.6955713
• Log P: 1.8979053
• Molar Refractivity: 83.6996 cm^3
• Polarizability: 33.691322 Å^3
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds