2,8-dimethyl-3-(prop-2-en-1-yl)quinolin-4-ol

• ChemBase ID: 184543
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: n1c2c(c(c(c1C)CC=C)O)cccc2C
• Canonical SMILES: C=CCc1c(C)nc2c(c1O)cccc2C
• InChI: InChI=1S/C14H15NO/c1-4-6-11-10(3)15-13-9(2)7-5-8-12(13)14(11)16/h4-5,7-8H,1,6H2,2-3H3,(H,15,16)
• InChIKey: BWKYLJUWIMCNBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164240453
• PubChem CID: 928711

CALCULATED PROPERTIES

• Acid pKa: 10.423996
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5692027
• LogD (pH = 7.4): 3.570274
• Log P: 3.5706975
• Molar Refractivity: 65.8802 cm^3
• Polarizability: 26.432259 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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