7-chloroquinoline

• ChemBase ID: 69184
• Molecular Formular: C9H6ClN
• Molecular Mass: 163.60364
• Monoisotopic Mass: 163.01887688
• SMILES: n1cccc2ccc(cc12)Cl
• Canonical SMILES: Clc1ccc2c(c1)nccc2
• InChI: InChI=1S/C9H6ClN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-6H
• InChIKey: QNGUPQRODVPRDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloroquinoline
• IUPAC Traditional name: 7-chloroquinoline
• Synonyms: 7-Chloroquinoline

Database IDs

• CAS Number: 612-61-3
• MDL Number: MFCD00956370
• PubChem SID: 162034913
• PubChem CID: 521963

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7294753
• LogD (pH = 7.4): 2.734876
• Log P: 2.734945
• Molar Refractivity: 44.7841 cm^3
• Polarizability: 18.831047 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%

DETAILS

Toronto Research Chemicals - C381340

Chloroquinolines block antibiotic efflux pumps in antibiotic-resistant Enterobacter aerogenes isolates.

REFERENCES

• Canton, R., et al.: J. Clin. Microbiol., 40, 1237 (2002)
• Yu, E., et al.: Science, 300, 976 (2002)
• Chollet, R., et al.: Antimicrob. Agents Chemother., 48, 2518 (2002)
• Li, X., et al.: Drugs, 64, 159 (2002)