2-[(E)-2-[4-(propan-2-yl)phenyl]ethenyl]quinoline

• ChemBase ID: 199414
• Molecular Formular: C20H19N
• Molecular Mass: 273.37156
• Monoisotopic Mass: 273.15174961
• SMILES: n1c2c(ccc1/C=C/c1ccc(cc1)C(C)C)cccc2
• Canonical SMILES: CC(c1ccc(cc1)/C=C/c1ccc2c(n1)cccc2)C
• InChI: InChI=1S/C20H19N/c1-15(2)17-10-7-16(8-11-17)9-13-19-14-12-18-5-3-4-6-20(18)21-19/h3-15H,1-2H3/b13-9+
• InChIKey: DUTFIRITRQQZGU-UKTHLTGXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(E)-2-[4-(propan-2-yl)phenyl]ethenyl]quinoline
• IUPAC Traditional name: 2-[(E)-2-(4-isopropylphenyl)ethenyl]quinoline

Database IDs

• PubChem SID: 164255324
• PubChem CID: 5893115

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.935406
• LogD (pH = 7.4): 5.9492326
• Log P: 5.949412
• Molar Refractivity: 89.1778 cm^3
• Polarizability: 35.807022 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds