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Also known as: 16064-08-7, 6-iodoquinazolin-4-ol, 6-iodo-3h-quinazolin-4-one, 6-iodoquinazolin-4(3h)-one, 4-hydroxy-6-iodoquinazoline, 6-iodo-4-hydroxyquinazoline
Molecular Formula
C8H5IN2O
Molecular Weight
272.04  g/mol
InChI Key
PUGXMZKDRVGIHC-UHFFFAOYSA-N

CAS 16064-08-7
1 2D Structure

CAS 16064-08-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-iodo-3H-quinazolin-4-one
2.1.2 InChI
InChI=1S/C8H5IN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H,10,11,12)
2.1.3 InChI Key
PUGXMZKDRVGIHC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C=C1I)C(=O)NC=N2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 16064-08-7

2. 6-iodoquinazolin-4-ol

3. 6-iodo-3h-quinazolin-4-one

4. 6-iodoquinazolin-4(3h)-one

5. 4-hydroxy-6-iodoquinazoline

6. 6-iodo-4-hydroxyquinazoline

7. 6-iodo-4-quinazolinol

8. 6-iodo-1h-quinazolin-4-one

9. 6-iodo-4(3h)-quinazolinone

10. 4(1h)-quinazolinone, 6-iodo-

11. 6-iodo-4-quinazolinone

12. Chembl1949845

13. Mfcd00195324

14. 4(3h)-quinazolinone, 6-iodo-

15. 6-iodo-4(1h)-quinazolinone

16. 6-iodo-quinazolin-4-ol

17. 6-iodo-3,4-dihydroquinazolin-4-one

18. 6-iodoquinazolin-4(1h)-one

19. 6-iodo-3-hydroquinazolin-4-one

20. 6-iodoquinazolinone

21. 6-iodo4-quinazolinone

22. 6-iodoquinazoline-4-ol

23. Cbdive_001584

24. Schembl216175

25. 6-iodoquinazoline-4(1h)-one

26. Dtxsid30354109

27. Albb-024234

28. Bcp24733

29. Zinc5687386

30. Bdbm50365139

31. Akos000540866

32. Akos015888615

33. Akos025243109

34. Ac-1002

35. Cs-w012362

36. Pb18488

37. Ss-4903

38. Sy028895

39. Db-002078

40. Am20090791

41. Eu-0066806

42. Ft-0655953

43. I0832

44. En300-76889

45. A18262

46. P10122

47. Ag-205/05210062

48. Sr-01000389718

49. Sr-01000389718-1

50. 6-iodoquinazolin-4(1h)-one;4-hydroxy-6-iodoquinazoline

51. Z1192058307

52. 2307738-66-3

2.3 Create Date
2019-01-15
3 Chemical and Physical Properties
Molecular Weight 272.04 g/mol
Molecular Formula C8H5IN2O
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area41.5
Heavy Atom Count12
Formal Charge0
Complexity229
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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