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    CAS 112811-71-9

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 112811-71-9, 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid ethyl ester, 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester, 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinoline carboxylic acid ethyl ester, X3ch2a9dul, Ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
    Molecular Formula
    C16H15F2NO4
    Molecular Weight
    323.29  g/mol
    InChI Key
    XPAOPAPDCRLMTR-UHFFFAOYSA-N
    FDA UNII
    X3CH2A9DUL
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate
    2.1.2 InChI
    InChI=1S/C16H15F2NO4/c1-3-23-16(21)10-7-19(8-4-5-8)13-9(14(10)20)6-11(17)12(18)15(13)22-2/h6-8H,3-5H2,1-2H3
    2.1.3 InChI Key
    XPAOPAPDCRLMTR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)F)OC)C3CC3
    2.2 Other Identifiers
    2.2.1 UNII
    X3CH2A9DUL
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 112811-71-9

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

    3. 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid Ethyl Ester

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

    5. X3ch2a9dul

    6. Ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylate

    7. Moxifloxacin Difluoro Methoxy Ethyl Ester

    8. Mfcd05864419

    9. Ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylate

    10. 3-quinolinecarboxylic Acid, 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-, Ethyl Ester

    11. Gatifloxacin Macrolid

    12. Unii-x3ch2a9dul

    13. Schembl1989474

    14. 8-methoxy Quinolonic Ethyl Ester

    15. Act01933

    16. Amy18320

    17. Bcp10385

    18. Waa96341

    19. Zinc2559584

    20. Ac-297

    21. Akos005064002

    22. Ethyl 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylate

    23. (s,s)-cyclohexane-1,2-dicarboxylic Acid

    24. As-13131

    25. Gatifloxacin Carboxyclic Acid Ethyl Ester

    26. Sy053109

    27. Db-019144

    28. Cs-0151711

    29. E1147

    30. Ft-0642751

    31. 811c719

    32. J-504572

    33. Ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-1,4-dihydro-4-oxoquinoline-3-carboxylate

    34. Ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylate

    35. Ethyl 8-methoxy-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate

    36. Ethyl-6,7-difluoro-1-cyclopropyl-8-methoxy-1,4-dihydro-4-oxoquinoline-3-carboxylate

    37. Ethyl1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate

    38. 1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4- Oxo-3-quinolinecarboxylic Acid Ethyl Ester

    39. 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic Acid Ethyl Ester

    40. 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic Acid Ethyl Ester

    41. 1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline3-carboxylic Acid Ethyl Ester

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 323.29 g/mol
    Molecular Formula C16H15F2NO4
    XLogP32.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass323.09691428 g/mol
    Monoisotopic Mass323.09691428 g/mol
    Topological Polar Surface Area55.8 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity534
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1