CAS 179688-29-0

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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

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 Formula	C₁₄H₁₈N₂O₅
Molecular Weight	294.30 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	294.12157168 g/mol
Monoisotopic Mass	294.12157168 g/mol
Topological Polar Surface Area	78.4 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	363
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1