2-chloro-3-(3-chloropropyl)-6,8-dimethylquinoline

• ChemBase ID: 805105
• Molecular Formular: C14H15Cl2N
• Molecular Mass: 268.1816
• Monoisotopic Mass: 267.05815485
• SMILES: c1c(c2c(cc1C)cc(c(n2)Cl)CCCCl)C
• Canonical SMILES: ClCCCc1cc2cc(C)cc(c2nc1Cl)C
• InChI: InChI=1S/C14H15Cl2N/c1-9-6-10(2)13-12(7-9)8-11(4-3-5-15)14(16)17-13/h6-8H,3-5H2,1-2H3
• InChIKey: HTPDMHBSJPICRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-(3-chloropropyl)-6,8-dimethylquinoline
• IUPAC Traditional name: 2-chloro-3-(3-chloropropyl)-6,8-dimethylquinoline
• Synonyms: 2-CHLORO-3-(3-CHLOROPROPYL)-6,8-DIMETHYLQUINOLINE

Database IDs

• CAS Number: 948294-61-9

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.3024187
• LogD (pH = 7.4): 5.302437
• Log P: 5.302437
• Molar Refractivity: 75.1507 cm^3
• Polarizability: 29.651258 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%