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Also known as: 183322-18-1, Quinazoline, 4-chloro-6,7-bis(2-methoxyethoxy)-, Cp-335963, Mfcd09751265, K44upe46kj, 4-chloro-6,7-(2-methoxyethoxy)-quinazoline
Molecular Formula
C14H17ClN2O4
Molecular Weight
312.75  g/mol
InChI Key
ZPJLDMNVDPGZIU-UHFFFAOYSA-N
FDA UNII
K44UPE46KJ

CAS 183322-18-1
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 Other Identifiers
2.2.1 UNII
K44UPE46KJ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 183322-18-1

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

3. Cp-335963

4. Mfcd09751265

5. K44upe46kj

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

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

8. 4-chloro-6,7-bis-(2-methoxyethoxy)quinazoline

9. Pf-508367

10. 4-chloro-6,7-(2-methoxyethoxy)quinazoline

11. Erlotinib Chloro Impurity

12. Unii-k44upe46kj

13. Di-n-octadecylphosphate

14. Schembl163465

15. Dtxsid70461407

16. Hms3263i16

17. Bcp26354

18. Tox21_501087

19. Zinc39326127

20. Akos015851220

21. Ac-6915

22. Ccg-222391

23. Cs-w007977

24. Gs-4328

25. Sb67325

26. Ncgc00261772-01

27. Sy017617

28. Am20090620

29. Ft-0650149

30. 4-chloro-6,7-bis(2-methoxyethoxy) Quinazoline

31. 4-chloro-6,7-di-(2-methoxyethoxy)quinazoline

32. 4-chloro-6,7-bis (2-methoxyethoxy) Quinazoline

33. 4-chloro-6,7-bis (2-methoxyethoxy)-quinazoline

34. 4-chloro-6,7-bis-(2-methoxyethoxy)-quinazoline

35. 4-chloro-6,7-di-(2-methoxyethoxy) Quinazoline

36. Cp-335963, >=98% (hplc)

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

38. 322c181

39. A812768

40. Q-101338

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 312.75 g/mol
Molecular Formula C14H17ClN2O4
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass312.0876847 g/mol
Monoisotopic Mass312.0876847 g/mol
Topological Polar Surface Area62.7 Ų
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

BUILDING BLOCK

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