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    CAS 112811-72-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    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

    2D Structure

    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 Weight 295.24 g/mol
    Molecular Formula C14H11F2NO4
    XLogP32.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count3
    Exact Mass295.06561416 g/mol
    Monoisotopic Mass295.06561416 g/mol
    Topological Polar Surface Area66.8 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity505
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1