Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 28888-44-0, 6,7-dimethoxyquinazoline-2,4-dione, 2,4-dihydroxy-6,7-dimethoxyquinazoline, 6,7-dimethoxyquinazoline-2,4-diol, 6,7-dimethoxy-1h-quinazoline-2,4-dione, 6,7-dimethoxy-2,4-quinazolinedione
Molecular Formula
C10H10N2O4
Molecular Weight
222.20  g/mol
InChI Key
KWNQIIMVPSMYEM-UHFFFAOYSA-N
FDA UNII
K7867Z125J

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6,7-dimethoxy-1H-quinazoline-2,4-dione
2.1.2 InChI
InChI=1S/C10H10N2O4/c1-15-7-3-5-6(4-8(7)16-2)11-10(14)12-9(5)13/h3-4H,1-2H3,(H2,11,12,13,14)
2.1.3 InChI Key
KWNQIIMVPSMYEM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C=C2C(=C1)C(=O)NC(=O)N2)OC
2.2 Other Identifiers
2.2.1 UNII
K7867Z125J
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 28888-44-0

2. 6,7-dimethoxyquinazoline-2,4-dione

3. 2,4-dihydroxy-6,7-dimethoxyquinazoline

4. 6,7-dimethoxyquinazoline-2,4-diol

5. 6,7-dimethoxy-1h-quinazoline-2,4-dione

6. 6,7-dimethoxy-2,4-quinazolinedione

7. 2,4(1h,3h)-quinazolinedione, 6,7-dimethoxy-

8. 6,7-dimethoxy-2,4(1h,3h)-quinazolinedione

9. 6,7-dimethoxy-(1h,3h)-2,4-quinazolindione

10. 2888-44-0

11. 6,7-dimethoxy-1,2,3,4-tetrahydroquinazoline-2,4-dione

12. K7867z125j

13. Ncgc00160264-01

14. Dsstox_cid_26100

15. Dsstox_rid_81338

16. Dsstox_gsid_46100

17. Cas-28888-44-0

18. Quinazolindione

19. Unii-k7867z125j

20. Einecs 249-288-1

21. 2,4-dihydroxy-6,7-dimethoxquinazoline

22. Doxazosin Impurity D

23. Oprea1_517280

24. Amy244

25. Schembl2330774

26. Chembl1403860

27. Dtxsid9046100

28. Zinc120622

29. Bcp09514

30. Doxazosin Related Compound B

31. Tox21_111752

32. Bbl028249

33. Mfcd00023889

34. Stk400208

35. Stl083699

36. 6,7-dimethoxy-quinazoline-2,4-diol

37. 6,7-dimethoxy Quinazoline-2,4-dione

38. Akos000120307

39. Akos005712782

40. Tox21_111752_1

41. 6,7-dimethoxy-2,4-quinazolinediol #

42. Ac-8386

43. Bs-4302

44. Dimethoxy-2,4(1h,3h)-quinazolinedione

45. Ncgc00263562-01

46. Quinazoline-2,4-diol, 6,7-dimethoxy-

47. 2,4-dihydroxy-6,7-dimethoxy Quinazoline

48. 6,7-dimethoxy-2,4-dihydroxy Quinazoline

49. 6,7-dimethoxy-2,4-quinazolinedione, 97%

50. Db-019954

51. A5439

52. Cs-0016028

53. D1839

54. Ft-0620865

55. Doxazosin Related Compound B [usp-rs]

56. 88d440

57. 1,2-bis(diphenylphosphino)ethanemonooxide

58. 888d440

59. Sr-01000945181

60. Doxazosin Mesilate Impurity D [ep Impurity]

61. Sr-01000945181-1

62. W-107022

63. 3-methyl-4-oxo-2-phenyl-4h-chromene-8-carbonitrile

64. Q27282043

65. Usp Doxazosin Related Compound B [usp Impurity]

66. Ncgc00160264-01!6,7-dimethoxy-quinazoline-2,4-diol

67. Doxazosin Impurity D, European Pharmacopoeia (ep) Reference Standard

68. Doxazosin Related Compound B, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 222.20 g/mol
Molecular Formula C10H10N2O4
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass222.06405680 g/mol
Monoisotopic Mass222.06405680 g/mol
Topological Polar Surface Area76.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity307
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1