4-chloro-2,6-dimethylquinoline

• ChemBase ID: 87870
• Molecular Formular: C11H10ClN
• Molecular Mass: 191.6568
• Monoisotopic Mass: 191.05017701
• SMILES: n1c(cc(c2cc(ccc12)C)Cl)C
• Canonical SMILES: Cc1ccc2c(c1)c(Cl)cc(n2)C
• InChI: InChI=1S/C11H10ClN/c1-7-3-4-11-9(5-7)10(12)6-8(2)13-11/h3-6H,1-2H3
• InChIKey: USUAZNLPQSKHJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2,6-dimethylquinoline
• IUPAC Traditional name: 4-chloro-2,6-dimethylquinoline
• Synonyms: 4-Chloro-2,6-dimethylquinoline

Database IDs

• CAS Number: 6270-08-2
• MDL Number: MFCD00272394
• PubChem SID: 162074910
• PubChem CID: 234275

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3588777
• LogD (pH = 7.4): 3.3794675
• Log P: 3.3797367
• Molar Refractivity: 54.4168 cm^3
• Polarizability: 22.370003 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%