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CAS 99010-64-7
Also known as: 99010-64-7, 4-chloro-1-isobutyl-1h-imidazo[4,5-c]quinoline, 4-chloro-1-(2-methylpropyl)imidazo[4,5-c]quinoline, Chlorodeaminoimiquimod, Nsc672965, Nj5e4gy4ny
Molecular Formula
C14H14ClN3
Molecular Weight
259.73  g/mol
InChI Key
RRCWSLBKLVBFQD-UHFFFAOYSA-N
FDA UNII
NJ5E4GY4NY

1 2D Structure

CAS 99010-64-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-chloro-1-(2-methylpropyl)imidazo[4,5-c]quinoline
2.1.2 InChI
InChI=1S/C14H14ClN3/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3
2.1.3 InChI Key
RRCWSLBKLVBFQD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2Cl
2.2 Other Identifiers
2.2.1 UNII
NJ5E4GY4NY
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 99010-64-7

2. 4-chloro-1-isobutyl-1h-imidazo[4,5-c]quinoline

3. 4-chloro-1-(2-methylpropyl)imidazo[4,5-c]quinoline

4. Chlorodeaminoimiquimod

5. Nsc672965

6. Nj5e4gy4ny

7. Nsc-672965

8. 4-chloro-1-(2-methylpropyl)-1h-imidazo(4,5-c)quinoline

9. 4-chloro-1-isobutyl-imidazo[4,5-c]quinoline

10. 4-chloro-1-isobutyl-1h-imidazo(4,5-c)quinoline

11. Imiquimod Related Compound C

12. Imiquimod Related Compound C [usp-rs]

13. 4-chloro-1-isobutyl-1h-imidazo [4,5-c]quinoline

14. 1h-imidazo(4,5-c)quinoline, 4-chloro-1-(2-methylpropyl)-

15. Trifloxysulfuronsodium

16. Unii-nj5e4gy4ny

17. Chlorodeaminoimiquimod [usp]

18. Chembl192111

19. Schembl1774913

20. Dtxsid50327633

21. Amy18247

22. Zinc1856597

23. Mfcd06658174

24. Akos015899334

25. Ab25764

26. Ac-26311

27. As-16115

28. Nci60_025857

29. Db-000695

30. Chlorodeaminoimiquimod [usp Impurity]

31. Cs-0154218

32. Ft-0642385

33. 010c647

34. 4-chloro-1-isobutyl-1h-imidazo[4,5-c]-quinoline

35. A845944

36. 4-chloro-1-isobuty-i-1h-imidazo[4,5-c]quinoline

37. 1h-imidazo[4,5-c]quinoline,4-chloro-1-(2-methylpropyl)-

38. 4-chloro-1-(2-methylpropyl)- 1h-imidazo[4,5-c]quinoline

39. 4-chloro-1-(2-methylpropyl)-1h-imidazo[4,5-c]-quinoline

40. 4-chloro-1-(2-methylpropyl)-1h-imidazo[4.5-c]-quinoline

41. 4-chloro-l-(2-methylpropyl)-1h-imidazo[4,5-c]quinoline

42. 4-chloro-1-(2-methylpropyl)-1h-imidazo [4,5-c]-quinoline

43. 1-[2-methylpropyl]-1h-2-chloroimidazo-[4,5-c]quinoline

44. 4-chloro-1-isobutyl-imidazo[4,5-c]quinoline;4-chloro-1-(2-methylpropyl)-1h-imidazo[4,5-c]quinoline

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 259.73 g/mol
Molecular Formula C14H14ClN3
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass259.0876252 g/mol
Monoisotopic Mass259.0876252 g/mol
Topological Polar Surface Area30.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity297
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag China
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URL Supplier Web Content
611-36-9
Imiquimod
NINGBO INNO PHARMCHEM CO.,LTD. develop, pilot and commercial produce organic chemicals, pharmaceutical in...
NINGBO INNO PHARMCHEM CO.,LTD. develop, pilot and commercial produce organic chemicals, pharmaceutical intermediates and nutraceuticals. We also offer custom synthesis and manufacturing service from gm to tons scale.
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URL Supplier Web Content
86-95-3
Imiquimod
NINGBO INNO PHARMCHEM CO.,LTD. develop, pilot and commercial produce organic chemicals, pharmaceutical in...
NINGBO INNO PHARMCHEM CO.,LTD. develop, pilot and commercial produce organic chemicals, pharmaceutical intermediates and nutraceuticals. We also offer custom synthesis and manufacturing service from gm to tons scale.
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Flag India
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99010-09-0
Imiquimod
“We, M/s.Trichem LifeSciences Limited believe that confidentiality and quality service is the key to ma...
“We, M/s.Trichem LifeSciences Limited believe that confidentiality and quality service is the key to maintaining customer relations. Keeping that in mind, the process development at Trichem Lifesciences Ltd. is supported by a close knit team with strong technical skills and result oriented scientists, having full-fledged QC and QA departments to carry out analysis of APIs, Intermediates and Nutraceuticals.
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