4-chloro-8-ethylquinoline

• ChemBase ID: 815870
• Molecular Formular: C11H10ClN
• Molecular Mass: 191.6568
• Monoisotopic Mass: 191.05017701
• SMILES: c1c(c2c(cc1)c(ccn2)Cl)CC
• Canonical SMILES: CCc1cccc2c1nccc2Cl
• InChI: InChI=1S/C11H10ClN/c1-2-8-4-3-5-9-10(12)6-7-13-11(8)9/h3-7H,2H2,1H3
• InChIKey: CVXOQZWXTYPOCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-8-ethylquinoline
• IUPAC Traditional name: 4-chloro-8-ethylquinoline
• Synonyms: 4-CHLORO-8-ETHYLQUINOLINE

Database IDs

• CAS Number: 63136-19-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6895971
• LogD (pH = 7.4): 3.692893
• Log P: 3.6929352
• Molar Refractivity: 54.4263 cm^3
• Polarizability: 22.452456 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%