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Also known as: 231278-84-5, 5-[4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl]-2-furaldehyde, 5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-carbaldehyde, Lapatinib metabolite m11, 5-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-6-quinazolinyl]-2-furancarboxaldehyde, Xa9x87f37h
Molecular Formula
C26H17ClFN3O3
Molecular Weight
473.9  g/mol
InChI Key
XQPZOUAAXRXPAM-UHFFFAOYSA-N
FDA UNII
XA9X87F37H

CAS 231278-84-5
1 2D Structure

CAS 231278-84-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-carbaldehyde
2.1.2 InChI
InChI=1S/C26H17ClFN3O3/c27-22-12-19(5-8-25(22)33-14-16-2-1-3-18(28)10-16)31-26-21-11-17(4-7-23(21)29-15-30-26)24-9-6-20(13-32)34-24/h1-13,15H,14H2,(H,29,30,31)
2.1.3 InChI Key
XQPZOUAAXRXPAM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=C(O5)C=O)Cl
2.2 Other Identifiers
2.2.1 UNII
XA9X87F37H
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 231278-84-5

2. 5-[4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl]-2-furaldehyde

3. 5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-carbaldehyde

4. Lapatinib Metabolite M11

5. 5-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-6-quinazolinyl]-2-furancarboxaldehyde

6. Xa9x87f37h

7. [5-[4-[4-[(3-fluorobenzyl)oxy]-3-chloroanilino]-6-quinazolinyl]-2-furancarboxaldehyde

8. (5-(4-(4-((3-fluorobenzyl)oxy)-3-chloroanilino)-6-quinazolinyl)-2-furancarboxaldehyde

9. 5-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-amino)quinazolin-6-yl)furan-2-carbaldehyde

10. 5-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)furan-2-carboxaldehyde

11. 5-(4-(3-chloro-4-(3-fluorobenzyloxy)-anilino)-6-quinazolinyl)furan-2-carboxaldehyde

12. 5-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)quinazolin-6-yl)furan-2-carbaldehyde

13. 5-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamino)quinazolin-6-yl)furan-2-carbaldehyde

14. 2-furancarboxaldehyde, 5-(4-((3-chloro-4-((3-fluorophenyl)methoxy)phenyl)amino)-6-quinazolinyl)-

15. 2-furancarboxaldehyde, 5-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-6-quinazolinyl]-

16. 5-(4-((3-chloro-4-((3-fluorophenyl)methoxy)phenyl)amino)-6-quinazolinyl)-2-furancarboxaldehyde

17. 5-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)quinazolin-6-yl]furan-2-carbaldehyde

18. 5-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)-2-furaldehyde

19. 5-(4-[3-chloro-4-(3-fluorobenzyloxy)-anilino]-6-quinazolinyl)-furan-2-carbaldehyde

20. 5-(4-[3-chloro-4-(3-fluorobenzyloxy)phenylamino]quinazolin-6-yl}furan-2-carbaldehyde

21. 5-(4-{3-chloro-4-(3-fluorobenzyloxy)-anilino}-6-quinazolinyl)-furan-2-carbaldehyde

22. 5-(4-{3-chloro-4-[(3-fluorophenyl)methoxy]anilino}quinazolin-6-yl)furan-2-carbaldehyde

23. 5-[4-[[3-chloro-4-[(3-fluorobenzyl)oxy]phenyl]amino]quinazolin-6-yl]furan-2-carboxaldehyde

24. 5-{4-[3-chloro-4-(3-fluorobenzyloxy)phenylamino]quinazolin-6-yl}furan-2-carbaldehyde

25. Lapatinib Impurity 9

26. Unii-xa9x87f37h

27. Schembl142106

28. Chembl3527095

29. Dtxsid00457833

30. Bcp22640

31. Mfcd10565688

32. Zinc22054569

33. Akos015888618

34. 16,17-epoxypregnenoloneacetate

35. Ac-8335

36. Sb18205

37. As-18220

38. Am20090639

39. Cs-0100421

40. Ft-0659647

41. F11830

42. 278c845

43. A816574

44. Q-101358

45. 5-(4-(4-(3-fluorobenzyloxy)-3-chloroanilino)-6-quinazolinyl)furan-2-formaldehyde

46. 5-(4-{3-chloro-4-(3-fluorobenzyloxy)-anilino}-6-quinazol Inyl)-furan-2-carbaldehyde

47. 5-(4-{3-chloro-4-[(3-fluorobenzyl)oxy]anilino}-6-quinazolinyl)-2-furaldehyde

48. 5-[4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)-quinazolin-6-yl]-2-furaldehyde

49. 5-[4-({3-chloro-4-[(3-fluorobenzyl)oxy] Phenyl}amino)quinazolin-6-yl]-2-furaldehyde

50. 5-[4-({3-chloro-4-[(3-fluorobenzyl)oxy]phenyl} Amino)quinazolin-6-yl]-2-furaldehyde

51. 5-[4-[3-chloro-4-(3-fluorobenzyloxy)anilino]-6-quinazolinyl]furan-2-carboxaldehyde

52. 5-[4-[3-chloro-4-(3-fluorobenzyloxy)anilino]quinazoline-6-yl]furan-2-carbaldehyde

53. 5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-6-quinazolinyl]-2-furancarboxaldehyde

54. 5-{-4-[4-(3-fluoro-benzyloxy)-3-chloroanilino]-6-quinazolinyl}-2-furaldehyde

55. 5-{4-[4-(3-fluoro-benzyloxy)-3-chloroanilino]-6-quinazolinyl}-2-furaldehyde

56. N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-(5-formyl-2-furyl)-4-quinazolinamine

57. 5-[4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl]-2-furaldehyde (lapatinib Intermediate)

58. 5-[4-[[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]amino]quinazolin-6-yl]furan-2-carbaldehyde

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 473.9 g/mol
Molecular Formula C26H17ClFN3O3
XLogP36.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass473.0942473 g/mol
Monoisotopic Mass473.0942473 g/mol
Topological Polar Surface Area77.2 Ų
Heavy Atom Count34
Formal Charge0
Complexity675
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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