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CAS 179688-29-0
PharmaCompass
CAS 179688-29-0
Also known as: 179688-29-0, 6,7-bis(2-methoxyethoxy)quinazolin-4(3h)-one, 6,7-bis-(2-methoxyethoxy)-4(3h)-quinazolinone, 6,7-bis(2-methoxyethoxy)-3,4-dihydroquinazolin-4-one, 6,7-bis(2-methoxyethoxy)-4(3h)-quinazolinone, 6,7-bis(2-methoxyethoxy)quinazolin-4(1h)-one
Molecular Formula
C14H18N2O5
Molecular Weight
294.307  g/mol
InChI Key
PMQWTUWLIGJTQD-UHFFFAOYSA-N

1 2D Structure

CAS 179688-29-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6,7-bis(2-methoxyethoxy)-1H-quinazolin-4-one
2.1.2 InChI
InChI=1S/C14H18N2O5/c1-18-3-5-20-12-7-10-11(15-9-16-14(10)17)8-13(12)21-6-4-19-2/h7-9H,3-6H2,1-2H3,(H,15,16,17)
2.1.3 InChI Key
PMQWTUWLIGJTQD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COCCOC1=C(C=C2C(=C1)C(=O)N=CN2)OCCOC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 179688-29-0

2. 6,7-bis(2-methoxyethoxy)quinazolin-4(3h)-one

3. 6,7-bis-(2-methoxyethoxy)-4(3h)-quinazolinone

4. 6,7-bis(2-methoxyethoxy)-3,4-dihydroquinazolin-4-one

5. 6,7-bis(2-methoxyethoxy)-4(3h)-quinazolinone

6. 6,7-bis(2-methoxyethoxy)quinazolin-4(1h)-one

7. 6,7-bis-(2-methoxyethoxy)-quinazolin-4(3h)-one

8. Cp-380736

9. 6,7-bis(2-methoxyethoxy)-3h-quinazolin-4-one

10. Mfcd02678087

11. Ak-81508

12. Pf-00520893

13. 6,7-bis(2-methoxyethoxy)quinazolin-4-ol

14. 4(1h)-quinazolinone, 6,7-bis(2-methoxyethoxy)-

15. 4(3h)-quinazolinone, 6,7-bis(2-methoxyethoxy)-

16. A1-01728

17. Q-101337

18. Ac1mdc7v

19. Erlotinib Lactam Impurity

20. Ksc174k2r

21. Schembl263796

22. Chembl1713411

23. Ctk0h4528

24. Ctk7b3690

25. Dtxsid00384594

26. Molport-002-899-666

27. Pmqwtuwligjtqd-uhfffaoysa-n

28. Hms1662h06

29. Hms3260f19

30. Ks-00000j0j

31. Zinc4302043

32. Tox21_500189

33. Anw-60710

34. Cb0153

35. Ccg-43571

36. Akos000282901

37. Akos025402163

38. Ac-5914

39. Ac-6916

40. Acn-026553

41. Cs-w002950

42. Ls41052

43. Mcule-2471008027

44. Rl02296

45. Ncgc00260874-01

46. Aj-50534

47. An-10507

48. As-11435

49. Cj-11918

50. He059048

51. Kb-73757

52. Lp056471

53. Sc-25416

54. 6,7-bis(2-methoxyethoxy)-4-quinazolinol

55. 6,7-bis(2-methoxyethoxy)-4-quinazolinone

56. 6,7-bis(2-methoxyethoxy)quinazolin-4-one

57. 6,7-bis(2-methoxyethoxy)quinazoline-4-ol

58. Ab0009936

59. Ab1006720

60. Ax8018954

61. Kb-198903

62. 4ch-009664

63. Am20090625

64. B4270

65. Ft-0083540

66. Ft-0651482

67. St51051578

68. 6,7-bis(2-methoxyethoxy)-4-hydroxyquinazoline

69. 6,7-bis-(2-methoxyethoxy)-4(3h)quinazolinone

70. M-9070

71. 6,7-bis(2-methoxyethoxy)-4(1h)-quinazolinone

72. Cp-380736, >=98% (hplc)

73. 6,7-bis-(2-methoxy-ethoxy)-3h-quinazolin-4-one

74. 6,7-bis-(2-methoxyethoxy)-4 (3h) Quinazolinone

75. 688b290

76. I01-1237

77. Sr-01000633479-1

78. Sr-01000633479-2

79. 6,7-di(2-methoxyethoxy)-3,4-dihydroquinazolin-4-one

80. 4(3h)-quinazolinone 6 7-bis(2-methoxyethoxy)-

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 294.307 g/mol
Molecular Formula C14H18N2O5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass294.122 g/mol
Monoisotopic Mass294.122 g/mol
Topological Polar Surface Area78.4 A^2
Heavy Atom Count21
Formal Charge0
Complexity363
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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