CAS 99010-64-7

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BUILDING BLOCK

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Chemistry

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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 Formula	C₁₄H₁₄ClN₃
Molecular Weight	259.73 g/mol
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	259.0876252 g/mol
Monoisotopic Mass	259.0876252 g/mol
Topological Polar Surface Area	30.7 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	297
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1