CAS 231278-20-9

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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

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 Formula	C₂₁H₁₄ClFIN₃O
Molecular Weight	505.7 g/mol
XLogP3	6.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	504.98542 g/mol
Monoisotopic Mass	504.98542 g/mol
Topological Polar Surface Area	47 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	504
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