CAS 183322-18-1

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5 End Use APIs
27 Related Intermediates

Chemistry

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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

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 Formula	C₁₄H₁₇ClN₂O₄
Molecular Weight	312.75 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	312.0876847 g/mol
Monoisotopic Mass	312.0876847 g/mol
Topological Polar Surface Area	62.7 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	298
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