4-chloro-6-ethylquinoline

• ChemBase ID: 805201
• Molecular Formular: C11H10ClN
• Molecular Mass: 191.6568
• Monoisotopic Mass: 191.05017701
• SMILES: c1cc2c(cc1CC)c(ccn2)Cl
• Canonical SMILES: CCc1ccc2c(c1)c(Cl)ccn2
• InChI: InChI=1S/C11H10ClN/c1-2-8-3-4-11-9(7-8)10(12)5-6-13-11/h3-7H,2H2,1H3
• InChIKey: VJTORLKSKVWEGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6-ethylquinoline
• IUPAC Traditional name: 4-chloro-6-ethylquinoline
• Synonyms: 4-CHLORO-6-ETHYLQUINOLINE

Database IDs

• CAS Number: 188758-77-2

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6882563
• LogD (pH = 7.4): 3.6928759
• Log P: 3.6929352
• Molar Refractivity: 54.4263 cm^3
• Polarizability: 22.451313 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%