4-chloro-5,8-dimethylquinoline

• ChemBase ID: 807588
• Molecular Formular: C11H10ClN
• Molecular Mass: 191.6568
• Monoisotopic Mass: 191.05017701
• SMILES: c1c(c2c(c(c1)C)c(ccn2)Cl)C
• Canonical SMILES: Cc1ccc(c2c1c(Cl)ccn2)C
• InChI: InChI=1S/C11H10ClN/c1-7-3-4-8(2)11-10(7)9(12)5-6-13-11/h3-6H,1-2H3
• InChIKey: SDAPXCIJNOHLDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-5,8-dimethylquinoline
• IUPAC Traditional name: 4-chloro-5,8-dimethylquinoline
• Synonyms: 4-CHLORO-5,8-DIMETHYLQUINOLINE

Database IDs

• CAS Number: 188759-77-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7513018
• LogD (pH = 7.4): 3.7616541
• Log P: 3.761788
• Molar Refractivity: 54.8665 cm^3
• Polarizability: 22.371758 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%