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2D Structure
Also known as: 86-98-6, Quinoline, 4,7-dichloro-, 4,7-dichloro-quinoline, Amodiaquine impurity 1, Mfcd00006774, Tl 1473
Molecular Formula
C9H5Cl2N
Molecular Weight
198.05  g/mol
InChI Key
HXEWMTXDBOQQKO-UHFFFAOYSA-N
FDA UNII
Z61O2HEQ2J

4,7-dichloroquinoline is a natural product found in Aloe castellorum with data available.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4,7-dichloroquinoline
2.1.2 InChI
InChI=1S/C9H5Cl2N/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H
2.1.3 InChI Key
HXEWMTXDBOQQKO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C=CN=C2C=C1Cl)Cl
2.2 Other Identifiers
2.2.1 UNII
Z61O2HEQ2J
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 86-98-6

2. Quinoline, 4,7-dichloro-

3. 4,7-dichloro-quinoline

4. Amodiaquine Impurity 1

5. Mfcd00006774

6. Tl 1473

7. Z61o2heq2j

8. Nsc-593

9. 1138471-54-1

10. Nsc 593

11. 4, 7-dichloroquinoline

12. Einecs 201-714-7

13. Unii-z61o2heq2j

14. Brn 0125359

15. Ai3-50374

16. 4,7dichloroquinoline

17. 4.7-dichloroquinoline

18. 4,7 Dichloroquinoline

19. Quinoline,7-dichloro-

20. 4,7-dichloroquinolinium

21. Dsstox_cid_31163

22. 4,7-bis(chloranyl)quinoline

23. Dsstox_gsid_52590

24. 5-20-07-00316 (beilstein Handbook Reference)

25. Bidd:gt0207

26. Schembl317202

27. Chloroquine Related Compound A

28. 4,7-dichloroquinoline, 97%

29. Chembl319828

30. Nsc593

31. Wln: T66 Bnj Eg Ig

32. 4,7 Dichloro Quinoline

33. Dtxsid0052590

34. Dichloroquinoline, 4,7-

35. 4,7-dichloroquinoline, >=99%

36. Zinc119471

37. Act10425

38. Bcp32292

39. Bcp32636

40. Str01070

41. Tox21_303863

42. Akos000119603

43. Am81211

44. Cs-w020014

45. Ps-8247

46. Sb67463

47. Cas-86-98-6

48. Ncgc00357128-01

49. Ac-10930

50. Ac-31966

51. Bp-12433

52. Sy001735

53. Db-011261

54. D1100

55. Ft-0617285

56. Ft-0617286

57. 86d986

58. Chloroquine Related Compound A [usp-rs]

59. D77863

60. A841902

61. Q-200422

62. Chloroquine Related Compound A [usp Impurity]

63. Q27295050

64. F0001-2149

65. Hydroxychloroquine Sulfate Impurity G [ep Impurity]

66. Chloroquine Related Compound A, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 198.05 g/mol
Molecular Formula C9H5Cl2N
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass196.9799046 g/mol
Monoisotopic Mass196.9799046 g/mol
Topological Polar Surface Area12.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity163
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1