CAS 848133-76-6

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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

CAS 848133-76-6

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 Formula	C₁₄H₁₂ClN₃O₂
Molecular Weight	289.71 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	289.0618043 g/mol
Monoisotopic Mass	289.0618043 g/mol
Topological Polar Surface Area	75 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	409
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