8-methoxy-2-methyl-3-(prop-2-en-1-yl)quinolin-4-ol

• ChemBase ID: 188870
• Molecular Formular: C14H15NO2
• Molecular Mass: 229.2744
• Monoisotopic Mass: 229.11027873
• SMILES: n1c2c(c(c(c1C)CC=C)O)cccc2OC
• Canonical SMILES: C=CCc1c(C)nc2c(c1O)cccc2OC
• InChI: InChI=1S/C14H15NO2/c1-4-6-10-9(2)15-13-11(14(10)16)7-5-8-12(13)17-3/h4-5,7-8H,1,6H2,2-3H3,(H,15,16)
• InChIKey: MREMKIFUOFCTEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-2-methyl-3-(prop-2-en-1-yl)quinolin-4-ol
• IUPAC Traditional name: 8-methoxy-2-methyl-3-(prop-2-en-1-yl)quinolin-4-ol

Database IDs

• PubChem SID: 164244780
• PubChem CID: 904673

CALCULATED PROPERTIES

• Acid pKa: 10.3714285
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8995154
• LogD (pH = 7.4): 2.8991477
• Log P: 2.8996048
• Molar Refractivity: 67.3022 cm^3
• Polarizability: 27.143463 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Tautomers
• Classification: Derivatives & analogs of Natural Compounds