Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 848133-76-6, N-(4-chloro-3-cyano-7-ethoxyquinolin-6-yl)acetamide, N-(4-chloro-3-cyano-7-ethoxy-6-quinolinyl) acetamide, Acetamide, n-(4-chloro-3-cyano-7-ethoxy-6-quinolinyl)-, U9em282pcg, Mfcd09263704
Molecular Formula
C14H12ClN3O2
Molecular Weight
289.71  g/mol
InChI Key
XDXGFTCQRAQEEG-UHFFFAOYSA-N
FDA UNII
U9EM282PCG

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-(4-chloro-3-cyano-7-ethoxyquinolin-6-yl)acetamide
2.1.2 InChI
InChI=1S/C14H12ClN3O2/c1-3-20-13-5-11-10(4-12(13)18-8(2)19)14(15)9(6-16)7-17-11/h4-5,7H,3H2,1-2H3,(H,18,19)
2.1.3 InChI Key
XDXGFTCQRAQEEG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC1=C(C=C2C(=C1)N=CC(=C2Cl)C#N)NC(=O)C
2.2 Other Identifiers
2.2.1 UNII
U9EM282PCG
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 848133-76-6

2. N-(4-chloro-3-cyano-7-ethoxyquinolin-6-yl)acetamide

3. N-(4-chloro-3-cyano-7-ethoxy-6-quinolinyl) Acetamide

4. Acetamide, N-(4-chloro-3-cyano-7-ethoxy-6-quinolinyl)-

5. U9em282pcg

6. Mfcd09263704

7. 6-acetamido-4-chloro-7-ethoxyquinoline-3-carbonitrile

8. 4-chloro-3-cyano-7-ethoxy-6-(n-acetylamino)quinoline

9. Unii-u9em282pcg

10. Ec 619-565-5

11. Schembl2129771

12. Dtxsid20463512

13. Amy13639

14. Bcp10620

15. Zinc34499111

16. Akos015843794

17. Ab50210

18. Gs-0943

19. Ac-29708

20. Sy047092

21. Db-014458

22. Cs-0001077

23. Ft-0601772

24. 4-chloro-3-cyano-7-ethoxy-6n-acetylquinoline

25. 4-chloro-3-cyano-7-ethoxy-6-n-acetylquinoline

26. 133c766

27. A840939

28. 4-chloro-3-cyano-7-ethoxy-6-acetylamino Quinoline

29. 4-chloro-6-acetylamino-7-ethoxyquinoline-3-carbonitrile

30. 6-acetamido-4-chloro-3-cyano-7-ethoxy-quinoline

31. N-(4-chloro-3-cyano-7-ethoxy-quinolin-6-yl)-acetamide

32. 4-chloro-3-cyano-7-ethoxy-6-(acetylamino)quinoline

33. N-(4-chloranyl-3-cyano-7-ethoxy-quinolin-6-yl)ethanamide

34. 860197-75-7

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 289.71 g/mol
Molecular Formula C14H12ClN3O2
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass289.0618043 g/mol
Monoisotopic Mass289.0618043 g/mol
Topological Polar Surface Area75 Ų
Heavy Atom Count20
Formal Charge0
Complexity409
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1