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Also known as: 179688-29-0, 6,7-bis-(2-methoxyethoxy)-4(3h)-quinazolinone, 6,7-bis(2-methoxyethoxy)quinazolin-4(1h)-one, Cp-380736, 6,7-bis(2-methoxyethoxy)-4(3h)-quinazolinone, 6,7-bis(2-methoxyethoxy)-3,4-dihydroquinazolin-4-one
Molecular Formula
C14H18N2O5
Molecular Weight
294.30  g/mol
InChI Key
PMQWTUWLIGJTQD-UHFFFAOYSA-N
FDA UNII
B5ASH28MRM

CAS 179688-29-0
1 2D Structure

CAS 179688-29-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6,7-bis(2-methoxyethoxy)-3H-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)NC=N2)OCCOC
2.2 Other Identifiers
2.2.1 UNII
B5ASH28MRM
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 179688-29-0

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

3. 6,7-bis(2-methoxyethoxy)quinazolin-4(1h)-one

4. Cp-380736

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

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

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

8. 6,7-bis(2-methoxyethoxy)-3h-quinazolin-4-one

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

10. 4(3h)-quinazolinone, 6,7-bis(2-methoxyethoxy)-

11. Mfcd02678087

12. B5ash28mrm

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

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

15. Pf-00520893

16. Unii-b5ash28mrm

17. Schembl263796

18. Chembl1713411

19. Dtxsid00384594

20. Hms1662h06

21. Hms3260f19

22. Bcp02605

23. Zinc4302043

24. Tox21_500189

25. Ccg-43571

26. Akos000282901

27. Akos025402163

28. Ac-5914

29. Ac-6916

30. Cs-w002950

31. Fd16019

32. Sb67315

33. Ncgc00260874-01

34. As-11435

35. Cp380736

36. Sy033245

37. 6,7-bis(2-methoxyethoxy)-4-quinazolinol

38. 6,7-bis(2-methoxyethoxy)-4-quinazolinone

39. 6,7-bis(2-methoxyethoxy)quinazolin-4-one

40. 6,7-bis(2-methoxyethoxy)quinazoline-4-ol

41. Cp 380736

42. A3986

43. Am20090625

44. B4270

45. Ft-0651482

46. Pf00520893

47. Pf 00520893

48. 6,7-bis(2-methoxyethoxy)-4-hydroxyquinazoline

49. 6,7-bis-(2-methoxyethoxy)-4(3h)quinazolinone

50. 6,7-bis(2-methoxyethoxy)-4(1h)-quinazolinone

51. Cp-380736, >=98% (hplc)

52. Pf00520893cp 380736

53. 6,7-bis-(2-methoxy-ethoxy)-3h-quinazolin-4-one

54. 6,7-bis-(2-methoxyethoxy)-4 (3h) Quinazolinone

55. 688b290

56. A1-01728

57. Q-101337

58. Sr-01000633479-1

59. Sr-01000633479-2

2.4 Create Date
2019-01-15
3 Chemical and Physical Properties
Molecular Weight 294.30 g/mol
Molecular Formula C14H18N2O5
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass294.12157168 g/mol
Monoisotopic Mass294.12157168 g/mol
Topological Polar Surface Area78.4 Ų
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

BUILDING BLOCK

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