CAS 190728-25-7

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Also known as: 190728-25-7, 4-((6,7-dimethoxyquinolin-4-yl)oxy)aniline, 4-(6,7-dimethoxyquinolin-4-yl)oxyaniline, 4-[(6,7-dimethoxyquinolin-4-yl)oxy]aniline, 4-[(6,7-dimethoxy-4-quinolyl)oxy]aniline, 4-(6,7-dimethoxyquinolin-4-yloxy)aniline

Molecular Formula

C₁₇H₁₆N₂O₃

Molecular Weight

296.32 g/mol

InChI Key

VXEQRXJATQUJSN-UHFFFAOYSA-N

1 2D Structure

CAS 190728-25-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(6,7-dimethoxyquinolin-4-yl)oxyaniline

2.1.2 InChI

InChI=1S/C17H16N2O3/c1-20-16-9-13-14(10-17(16)21-2)19-8-7-15(13)22-12-5-3-11(18)4-6-12/h3-10H,18H2,1-2H3

2.1.3 InChI Key

VXEQRXJATQUJSN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 190728-25-7

2. 4-((6,7-dimethoxyquinolin-4-yl)oxy)aniline

3. 4-(6,7-dimethoxyquinolin-4-yl)oxyaniline

4. 4-[(6,7-dimethoxyquinolin-4-yl)oxy]aniline

5. 4-[(6,7-dimethoxy-4-quinolyl)oxy]aniline

6. 4-(6,7-dimethoxyquinolin-4-yloxy)aniline

7. 6,7-dimethoxy-4-(4-aminophenoxy)quinoline

8. Benzenamine, 4-[(6,7-dimethoxy-4-quinolinyl)oxy]-

9. Mfcd19685633

10. 4-(4-aminophenoxy)-6,7-dimethoxyquinoline

11. Schembl167396

12. Chembl3667501

13. Amy1790

14. Dtxsid40469172

15. Bdbm153646

16. Bcp10283

17. Zinc13859458

18. Akos005261203

19. Ccg-332646

20. Sb18182

21. 4-(6,7-dimethoxy-4-quinolyloxy)aniline

22. Ac-29723

23. As-19585

24. Sy212142

25. 4-[(6,7dimethoxy-4-quinolyl)oxy]aniline

26. Cs-0043365

27. D5070

28. Ft-0701256

29. 4-(6,7-dimethoxyquinolin-4-yloxy)benzenamine

30. 4-(6,7-dimethoxyquinolin-4-yloxy)phenylamine

31. 4-[(6,7-dimethoxy-4-quinolyl)oxy-]aniline

32. 6,7-dimethoxy-4-(4-aminophenyloxy)quinoline

33. J3.598.033d

34. 4-(6,7-dimethoxy-quinoline-4-yloxy)-phenylamine

35. A852270

36. Us8999982, 4-((6,7-dimethoxyquinolin-4- Yl)oxy)aniline

37. 6,7-dimethoxy-4-(4-aminophenoxy)quinoline;4-(6,7-dimethoxyquinolin-4-yl)oxyaniline

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₆N₂O₃
Molecular Weight	296.32 g/mol
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	296.11609238 g/mol
Monoisotopic Mass	296.11609238 g/mol
Topological Polar Surface Area	66.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	347
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