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2D Structure
Also known as: 32084-59-6, 6-bromoquinazolin-4(3h)-one, 6-bromo-4-hydroxyquinazoline, 6-bromo-3h-quinazolin-4-one, 6-bromo-4-quinazolone, 6-bromoquinazolin-4(1h)-one
Molecular Formula
C8H5BrN2O
Molecular Weight
225.04  g/mol
InChI Key
OVEISJPVPHWEHR-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-bromo-3H-quinazolin-4-one
2.1.2 InChI
InChI=1S/C8H5BrN2O/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
OVEISJPVPHWEHR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C=C1Br)C(=O)NC=N2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 32084-59-6

2. 6-bromoquinazolin-4(3h)-one

3. 6-bromo-4-hydroxyquinazoline

4. 6-bromo-3h-quinazolin-4-one

5. 6-bromo-4-quinazolone

6. 6-bromoquinazolin-4(1h)-one

7. 6-bromo-1h-quinazolin-4-one

8. 4(1h)-quinazolinone, 6-bromo-

9. Chembl562488

10. 6-bromo-3,4-dihydroquinazolin-4-one

11. 6-bromo-4(3h)-quinazolinone

12. 6-bromo-3,4-dihydro-4-oxoquinazoline

13. 4(3h)-quinazolinone, 6-bromo-

14. Kinome_3257

15. 6-bromo-4-quinazolinol

16. 6-bromoquinazolin-4-one

17. 6-bromo-4-quinazolinone

18. Maybridge1_006260

19. Cambridge Id 5585489

20. Schembl182871

21. 6-bromo-4-hydroxy-quinazoline

22. 6-bromo-4(1h)-quinazolinone

23. 6-bromoquinazoline-4(3h)-one

24. Hms559e12

25. Dtxsid00351423

26. Hms1583h20

27. Act03903

28. Albb-024135

29. Bcp23046

30. Cs-d1073

31. Zinc8647743

32. Ab1142

33. Bbl029209

34. Bdbm50414218

35. Mfcd00115131

36. Mfcd01219541

37. Stk929158

38. Stl382233

39. Stl511999

40. 6-bromo-1,4-dihydroquinazolin-4-one

41. Akos000126969

42. Akos005659209

43. Akos022177712

44. Ab21786

45. As-3007

46. Ccg-248929

47. Fs-2625

48. Gs-4275

49. Ps-3451

50. Am803687

51. Rh 00197

52. Sy006403

53. 6-bromoquinazolin-4(3h)-one, Aldrichcpr

54. Db-001815

55. Db-013151

56. A5772

57. B4328

58. Ft-0649965

59. En300-05116

60. Sr-01000415022

61. J-518466

62. Sr-01000415022-1

63. Z56893149

64. F1967-9986

2.3 Create Date
2019-01-15
3 Chemical and Physical Properties
Molecular Weight 225.04 g/mol
Molecular Formula C8H5BrN2O
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