CAS 27631-29-4

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Also known as: 27631-29-4, 2,4-dichloro-6,7-dimethoxy-quinazoline, Quinazoline, 2,4-dichloro-6,7-dimethoxy-, Doxazosin impurity e, 2,4-dichloro-6,7-dimethoxy quinazoline, 2-chloro-6,7-dimethoxyquinazolin-4-yl chloride

Molecular Formula

C₁₀H₈Cl₂N₂O₂

Molecular Weight

259.09 g/mol

InChI Key

DGHKCBSVAZXEPP-UHFFFAOYSA-N

FDA UNII

B6720H065I

1 2D Structure

CAS 27631-29-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,4-dichloro-6,7-dimethoxyquinazoline

2.1.2 InChI

InChI=1S/C10H8Cl2N2O2/c1-15-7-3-5-6(4-8(7)16-2)13-10(12)14-9(5)11/h3-4H,1-2H3

2.1.3 InChI Key

DGHKCBSVAZXEPP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)Cl)OC

2.2 Other Identifiers

2.2.1 UNII

B6720H065I

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 27631-29-4

2. 2,4-dichloro-6,7-dimethoxy-quinazoline

3. Quinazoline, 2,4-dichloro-6,7-dimethoxy-

4. Doxazosin Impurity E

5. 2,4-dichloro-6,7-dimethoxy Quinazoline

6. 2-chloro-6,7-dimethoxyquinazolin-4-yl Chloride

7. Mfcd00051733

8. B6720h065i

9. Unii-b6720h065i

10. Doxazosin Mesilate Impurity E [ep]

11. Usp Doxazosin Related Compound E [usp]

12. Quinazoline,2,4-dichloro-6,7-dimethoxy-

13. Usp Doxazosin Related Compound E Rs [usp]

14. Schembl294809

15. Amy261

16. Dtxsid00182012

17. Bcp23048

18. Cs-m1592

19. Doxazosin Related Compound E

20. Zinc2028663

21. Stl083707

22. 2,4-dichloro6,7-dimethoxyquinazoline

23. 2,4-dichloro-6,7-dimetoxyquinazoline

24. Akos005712503

25. 2,4-dichloro-6,7-dimethoxyquinozoline

26. Ac-6745

27. Bs-4751

28. Ds-1542

29. Sb21612

30. 2.4-dichloro-6,7-dimethoxy Quinazoline

31. Sy016557

32. Db-047253

33. A5335

34. Bb 0301268

35. D3746

36. Ft-0610022

37. 2,4-dichloro-6,7-dimethoxyquinazoline, 97%

38. Doxazosin Related Compound E [usp-rs]

39. Ab00086426-01

40. An-829/25042010

41. Sr-01000210320

42. 2,4-dichloro-6-methoxy-7-quinazolinyl Methyl Ether

43. Doxazosin Mesilate Impurity E [ep Impurity]

44. J-016829

45. Sr-01000210320-1

46. Q27274421

47. Usp Doxazosin Related Compound E [usp Impurity]

48. Doxazosin Related Compound E, United States Pharmacopeia (usp) Reference Standard

49. Usp Doxazosin Related Compound E; Doxazosin Ep Impurity E; 2-chloro-6,7-dimethoxyquinazolin-4-yl Chloride

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₈Cl₂N₂O₂
Molecular Weight	259.09 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	257.9962829 g/mol
Monoisotopic Mass	257.9962829 g/mol
Topological Polar Surface Area	44.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	245
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