2-chloro-3-(3-chloropropyl)-7,8-dimethylquinoline

• ChemBase ID: 805112
• Molecular Formular: C14H15Cl2N
• Molecular Mass: 268.1816
• Monoisotopic Mass: 267.05815485
• SMILES: c1(c(c2c(cc1)cc(c(n2)Cl)CCCCl)C)C
• Canonical SMILES: Cc1c(C)ccc2c1nc(Cl)c(c2)CCCCl
• InChI: InChI=1S/C14H15Cl2N/c1-9-5-6-11-8-12(4-3-7-15)14(16)17-13(11)10(9)2/h5-6,8H,3-4,7H2,1-2H3
• InChIKey: RVZZWACRMIZVMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-(3-chloropropyl)-7,8-dimethylquinoline
• IUPAC Traditional name: 2-chloro-3-(3-chloropropyl)-7,8-dimethylquinoline
• Synonyms: 2-CHLORO-3-(3-CHLOROPROPYL)-7,8-DIMETHYLQUINOLINE

Database IDs

• CAS Number: 948290-05-9

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.302408
• LogD (pH = 7.4): 5.302437
• Log P: 5.302437
• Molar Refractivity: 75.1507 cm^3
• Polarizability: 29.652632 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%