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Also known as: 231278-20-9, N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-iodoquinazolin-4-amine, N-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-iodoquinazolin-4-amine, N-[3-chloro-4-(3-fluorobenzyloxy)-phenyl]-6-iodoquinazolin-4-amine, 4-quinazolinamine, n-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodo-, N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-iodoquinazolin-4-amine
Molecular Formula
C21H14ClFIN3O
Molecular Weight
505.7  g/mol
InChI Key
UHFPFDMMKYQMLC-UHFFFAOYSA-N

CAS 231278-20-9
1 2D Structure

CAS 231278-20-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodoquinazolin-4-amine
2.1.2 InChI
InChI=1S/C21H14ClFIN3O/c22-18-10-16(5-7-20(18)28-11-13-2-1-3-14(23)8-13)27-21-17-9-15(24)4-6-19(17)25-12-26-21/h1-10,12H,11H2,(H,25,26,27)
2.1.3 InChI Key
UHFPFDMMKYQMLC-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)I)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 231278-20-9

2. N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-iodoquinazolin-4-amine

3. N-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-iodoquinazolin-4-amine

4. N-[3-chloro-4-(3-fluorobenzyloxy)-phenyl]-6-iodoquinazolin-4-amine

5. 4-quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodo-

6. N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-iodoquinazolin-4-amine

7. N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-iodoquinazolin-4-amine

8. N-[3-chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-iodoquinazolin-4-amine

9. Mfcd09998827

10. 6-iodo-4-[3-chloro-4-(3-fluorobenzyloxy)anilino]quinazoline

11. 4-[3-chloro-4-(3-fluorobenzyloxy)phenylamino]-6-iodoquinazoline

12. N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodoquinazolin-4-amine

13. N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-iodo-4-quinazolinamine

14. N-(3-chloro-4-[(3-fluorobenzyl)oxy]phenyl)-6-iodoquinazolin-4-amine

15. Schembl141514

16. Dtxsid10436351

17. Bcp22642

18. Zinc22054565

19. Akos015848952

20. N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodo-4-quinazolinamine

21. Ac-8334

22. Cs-w011494

23. Gs-3803

24. Sb18203

25. Bp-27845

26. Sy053116

27. Am20090640

28. Ft-0658071

29. 278c209

30. A816573

31. Q-101357

32. 4-[3-chloro-4-(3-fluorobenzyloxy)anilino]-6-iodoquinazoline

33. 4-[3-chloro-4-(3-fluorobenzyloxy)phenylamino]-6-iodoquinazolin

34. N-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-iodo-4-quinazolinamine

35. N-(4-(3-fluorobenzyloxy)-3-chlorophenyl)-6-iodoquinazolin-4-amine

36. N-[3-chloro-4-(3-fluorobenzyloxy)phenyl]-6-iodoquinazoline-4-amine

37. [3-chloro-4-(3-fluoro-benzyloxy)-phenyl]-(6-iodo-quinazolin-4-yl)-amine

38. [3-chloro-4-(3-fluorobenzyloxy)phenyl]-(6-iodoquinazo-lin-4-yl)amine

39. N-(3-chloro-4-((3-fluorobenzyl)oxy)-phenyl)-6-iodoquinazolin-4-amine

40. N-[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodanyl-quinazolin-4-amine

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 505.7 g/mol
Molecular Formula C21H14ClFIN3O
XLogP36.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass504.98542 g/mol
Monoisotopic Mass504.98542 g/mol
Topological Polar Surface Area47 Ų
Heavy Atom Count28
Formal Charge0
Complexity504
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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