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CAS 183322-18-1
PharmaCompass
CAS 183322-18-1
Also known as: 183322-18-1, Quinazoline, 4-chloro-6,7-bis(2-methoxyethoxy)-, 4-chloro-6,7-(2-methoxyethoxy)-quinazoline, 4-chloro-6,7-bis-(2-methoxy-ethoxy)-quinazoline, Mfcd09751265, Ak-26632
Molecular Formula
C14H17ClN2O4
Molecular Weight
312.75  g/mol
InChI Key
ZPJLDMNVDPGZIU-UHFFFAOYSA-N

1 2D Structure

CAS 183322-18-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-chloro-6,7-bis(2-methoxyethoxy)quinazoline
2.1.2 InChI
InChI=1S/C14H17ClN2O4/c1-18-3-5-20-12-7-10-11(16-9-17-14(10)15)8-13(12)21-6-4-19-2/h7-9H,3-6H2,1-2H3
2.1.3 InChI Key
ZPJLDMNVDPGZIU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COCCOC1=C(C=C2C(=C1)C(=NC=N2)Cl)OCCOC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 183322-18-1

2. Quinazoline, 4-chloro-6,7-bis(2-methoxyethoxy)-

3. 4-chloro-6,7-(2-methoxyethoxy)-quinazoline

4. 4-chloro-6,7-bis-(2-methoxy-ethoxy)-quinazoline

5. Mfcd09751265

6. Ak-26632

7. Cp-335963

8. Q-101338

9. Erlotinib Chloro Impurity

10. Acmc-20a06e

11. Ksc173s2l

12. Schembl163465

13. Qui122

14. Jsp003758

15. Ctk0h3925

16. Dtxsid70461407

17. Molport-004-969-060

18. Zpjldmnvdpgziu-uhfffaoysa-n

19. Hms3263i16

20. Ks-00000j0u

21. Tox21_501087

22. Anw-51156

23. Cc0102

24. Zinc39326127

25. Akos015851220

26. Ac-6915

27. Acn-026554

28. An-9528

29. Cc-1356

30. Ccg-222391

31. Cs-w007977

32. Gs-4328

33. Hch0013126

34. Ls41054

35. Or53047

36. Rl02338

37. Rtr-008455

38. Ncgc00261772-01

39. Acm183322181

40. Aj-99857

41. Br-26632

42. Cj-19930

43. He060956

44. Kb-38040

45. Sc-23375

46. Ab0030440

47. Ab1004621

48. Ax8018986

49. Pf-508367

50. St2411320

51. Tr-008455

52. 4ch-009670

53. Am20090620

54. Ft-0650149

55. St51051582

56. X2631

57. 4-chloro-6,7-bis(2-methoxyethoxy) Quinazoline

58. 4-chloro-6,7-bis(2-methoxyethoxy)-quinazoline

59. 4-chloro-6,7-bis-(2-methoxyethoxy)quinazoline

60. 4-chloro-6,7-di-(2-methoxyethoxy)quinazoline

61. S-4825

62. 4-chloranyl-6,7-bis(2-methoxyethoxy)quinazoline

63. 4-chloro-6,7-bis (2-methoxyethoxy) Quinazoline

64. 4-chloro-6,7-bis-(2-methoxyethoxy)-quinazoline

65. 4-chloro-6,7-di-(2-methoxyethoxy) Quinazoline

66. Cp-335963, >=98% (hplc)

67. (6,7-bis(2-methoxyethoxy))-4-chloro-quinazoline

68. 322c181

69. A812768

70. I01-1243

71. 4-chloro-6,7-bis-(2-methoxyethoxy)-4(3h)-quinazoline

72. Cp-335963; 4-chloro-6,7-bis(2-methoxyethoxy)-quinazoline; Pf-508367

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 312.75 g/mol
Molecular Formula C14H17ClN2O4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass312.088 g/mol
Monoisotopic Mass312.088 g/mol
Topological Polar Surface Area62.7 A^2
Heavy Atom Count21
Formal Charge0
Complexity298
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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