4,6-dichloro-2,8-dimethylquinoline

• ChemBase ID: 275299
• Molecular Formular: C11H9Cl2N
• Molecular Mass: 226.10186
• Monoisotopic Mass: 225.01120465
• SMILES: c12c(nc(cc1Cl)C)c(cc(c2)Cl)C
• Canonical SMILES: Clc1cc(C)c2c(c1)c(Cl)cc(n2)C
• InChI: InChI=1S/C11H9Cl2N/c1-6-3-8(12)5-9-10(13)4-7(2)14-11(6)9/h3-5H,1-2H3
• InChIKey: CPJUQQYVCLNEHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dichloro-2,8-dimethylquinoline
• IUPAC Traditional name: 4,6-dichloro-2,8-dimethylquinoline
• Synonyms: 4,6-dichloro-2,8-dimethylquinoline

Database IDs

• CAS Number: 21629-51-6
• MDL Number: MFCD00272340
• PubChem SID: 164331209
• PubChem CID: 17039834

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.981812
• LogD (pH = 7.4): 3.9837565
• Log P: 3.9837813
• Molar Refractivity: 59.2216 cm^3
• Polarizability: 24.200708 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 122 - 124°C
• Hydrophobicity(logP): 4.559

Product Information

• Purity: 95%; 98%