CAS 112811-72-0

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BUILDING BLOCK

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1 End Use APIs
5 Related Intermediates

Chemistry

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Also known as: 112811-72-0, 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid, 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid, 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid, Mfcd05864420, Ekq5b89zk4

Molecular Formula

C₁₄H₁₁F₂NO₄

Molecular Weight

295.24 g/mol

InChI Key

WQJZXSSAMGZVTM-UHFFFAOYSA-N

FDA UNII

EKQ5B89ZK4

1 2D Structure

CAS 112811-72-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

2.1.2 InChI

InChI=1S/C14H11F2NO4/c1-21-13-10(16)9(15)4-7-11(13)17(6-2-3-6)5-8(12(7)18)14(19)20/h4-6H,2-3H2,1H3,(H,19,20)

2.1.3 InChI Key

WQJZXSSAMGZVTM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=C2C(=CC(=C1F)F)C(=O)C(=CN2C3CC3)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

EKQ5B89ZK4

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 112811-72-0

2. 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic Acid

3. 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-3-quinolinecarboxylic Acid

4. 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic Acid

5. Mfcd05864420

6. Ekq5b89zk4

7. 3-quinolinecarboxylic Acid, 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-

8. 1-cyclopropyl-6,7-difluoro-8-methoxy-1,4-dihydro-4-oxoquinoline-3-carboxylic Acid

9. 1-cyclopropyl-6,7-difluoro-8-methoxy-4-quinolone-3-carboxylic Acid

10. 1-cyclopropyl-6,7- Fluoro-8-methoxy-1,4-dihydro-4-oxo-3-quinoline Carboxylic Acid

11. 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinoline Carboxylic Acid

12. 1-cyclopropyl-6,7-difluoro-8-methoxy-1,4-dihydro-4-oxo-quinoline-3-carboxylic Acid

13. Moxifloxacin Impurity 26

14. Unii-ekq5b89zk4

15. Difluoro Methoxy Gatifloxacin

16. Mls001215934

17. Schembl483223

18. Chembl1425316

19. Dtxsid30427125

20. Hms2857a20

21. Albb-015403

22. Bcp34174

23. Zinc2559585

24. Bbl012466

25. Stk261871

26. Akos002332025

27. Ac-8368

28. Cs-w019415

29. Ds-12101

30. Smr000544699

31. Sy020523

32. Db-005090

33. Am20061812

34. Bb 0262486

35. Ft-0601426

36. Ft-0633381

37. Ft-0686394

38. 811c720

39. J-504573

40. 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-3-quinolinecarboxylicacid

41. 1,4-dihydro-1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic Acid

42. 1-cyclopropyl-1,4-dihydro-4-oxo-6,7-difluoro-8-methoxy-3-quinoline Carboxylic Acid

43. 1-cyclopropyl-1,4-dihydro-6,7-difluoro-8-methoxy-4-oxo-quinoline-3-carboxylic Acid

44. 1-cyclopropyl-6,7-difluoro-1,4 Dihydro-8-methoxy-4-oxo-3-quinoline Carboxylic Acid

45. 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinoline-3-carboxylic Acid

46. 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxoquinoline-3-carboxylic Acid

47. 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxoquinoline-3carboxylic Acid

48. 1-cyclopropyl-6,7-difluoro-1.4 Dihydro-8-methoxy-4-oxo-3-quinoline Carboxylic Acid

49. 1-cyclopropyl-6,7-difluoro-8-methoxy-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid

50. 1-cyclopropyl-6,7-difluoro-8-methoxy-1,4-dihydro-4-oxy-quinoline-3-carboxylic Acid

51. 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic Acid

52. 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylicacid

53. 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline3-carboxylic Acid

54. Usp Gatifloxacin Related Compound C; 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid

2.4 Create Date

2006-07-29

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₁F₂NO₄
Molecular Weight	295.24 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	295.06561416 g/mol
Monoisotopic Mass	295.06561416 g/mol
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	505
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