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

• ChemBase ID: 182289
• Molecular Formular: C14H15NO2
• Molecular Mass: 229.2744
• Monoisotopic Mass: 229.11027873
• SMILES: c12c(c(c(nc1ccc(c2)OC)C)CC=C)O
• Canonical SMILES: C=CCc1c(C)nc2c(c1O)cc(cc2)OC
• InChI: InChI=1S/C14H15NO2/c1-4-5-11-9(2)15-13-7-6-10(17-3)8-12(13)14(11)16/h4,6-8H,1,5H2,2-3H3,(H,15,16)
• InChIKey: VBNWZPCBIPFTOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2-methyl-3-(prop-2-en-1-yl)quinolin-4-ol
• IUPAC Traditional name: 6-methoxy-2-methyl-3-(prop-2-en-1-yl)quinolin-4-ol

Database IDs

• PubChem SID: 164238199
• PubChem CID: 826114

CALCULATED PROPERTIES

• Acid pKa: 10.321883
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8979366
• LogD (pH = 7.4): 2.8990724
• Log P: 2.8996048
• Molar Refractivity: 67.3022 cm^3
• Polarizability: 27.13667 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Tautomers
• Classification: Rare Derivatives of Natural Compounds