4-chloro-2,3-dimethylquinoline

• ChemBase ID: 804766
• Molecular Formular: C11H10ClN
• Molecular Mass: 191.6568
• Monoisotopic Mass: 191.05017701
• SMILES: c1cc2c(cc1)c(c(c(n2)C)C)Cl
• Canonical SMILES: Cc1c(C)nc2c(c1Cl)cccc2
• InChI: InChI=1S/C11H10ClN/c1-7-8(2)13-10-6-4-3-5-9(10)11(7)12/h3-6H,1-2H3
• InChIKey: KQXLLCFFOGCXJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2,3-dimethylquinoline
• IUPAC Traditional name: 4-chloro-2,3-dimethylquinoline
• Synonyms: 4-CHLORO-2,3-DIMETHYLQUINOLINE

Database IDs

• CAS Number: 63136-62-9

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.342948
• LogD (pH = 7.4): 3.379253
• Log P: 3.3797367
• Molar Refractivity: 54.4168 cm^3
• Polarizability: 22.37098 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%