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    4-Oxo-1,4-dihydroquinoline-3-carboxylic acid

    BUILDING BLOCK

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    2D Structure
    Also known as: 4-hydroxyquinoline-3-carboxylic acid, 13721-01-2, 34785-11-0, 4-hydroxy-quinoline-3-carboxylic acid, 4-oxo-1h-quinoline-3-carboxylic acid, 1,4-dihydro-4-oxoquinoline-3-carboxylic acid
    Molecular Formula
    C10H7NO3
    Molecular Weight
    189.17  g/mol
    InChI Key
    ILNJBIQQAIIMEY-UHFFFAOYSA-N
    FDA UNII
    BLD4359KYC
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-oxo-1H-quinoline-3-carboxylic acid
    2.1.2 InChI
    InChI=1S/C10H7NO3/c12-9-6-3-1-2-4-8(6)11-5-7(9)10(13)14/h1-5H,(H,11,12)(H,13,14)
    2.1.3 InChI Key
    ILNJBIQQAIIMEY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)C(=O)C(=CN2)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    BLD4359KYC
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-quinolone-3-carboxylic Acid

    2.3.2 Depositor-Supplied Synonyms

    1. 4-hydroxyquinoline-3-carboxylic Acid

    2. 13721-01-2

    3. 34785-11-0

    4. 4-hydroxy-quinoline-3-carboxylic Acid

    5. 4-oxo-1h-quinoline-3-carboxylic Acid

    6. 1,4-dihydro-4-oxoquinoline-3-carboxylic Acid

    7. 3-quinolinecarboxylic Acid, 1,4-dihydro-4-oxo-

    8. 4-quinolone-3-carboxylic Acid

    9. 1,4-dihydro-4-oxo-quinoline-3-carboxylic Acid

    10. 4-oxo-1,4-dihydroquinoline Carboxylic Acid

    11. 4-hydroxy-3-quinolinecarboxylic Acid

    12. Mfcd00498984

    13. Mfcd00598887

    14. Bld4359kyc

    15. 1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid

    16. 4-oxo-1,4-dihydro-quinoline-3-carboxylic Acid

    17. 3-quinolinecarboxylicacid, 4-hydroxy-

    18. 4-hydroxyquinoline-3-carboxylicacid

    19. Nsc4344

    20. Gjp

    21. 4-oxohydroquinoline-3-carboxylic Acid

    22. 4-oxo-1,4-dihydroquinoline-3-carboxylicacid

    23. Unii-bld4359kyc

    24. Ec 604-008-0

    25. Timtec1_001724

    26. Oprea1_220472

    27. Oprea1_318687

    28. Schembl377150

    29. Chembl158890

    30. 4-oxoquinoline-3-carboxylic Acid

    31. Dtxsid70956267

    32. Hms1538o08

    33. Hms1616o17

    34. Act10557

    35. Albb-030902

    36. Bcp08207

    37. Cs-m2264

    38. Nsc-4344

    39. 4(1h)-quinolone-3-carboxylic Acid

    40. Bbl013879

    41. Stk802002

    42. Stk899115

    43. Akos000268309

    44. Akos000273146

    45. Ab06514

    46. Bs-4028

    47. Ccg-126705

    48. Sb17737

    49. Am803748

    50. Sy003660

    51. Sy028229

    52. 4-hydroxyquinoline-3-carboxylic Acid, 97%

    53. Db-081673

    54. Db-081675

    55. Bb 0221686

    56. Bb 0237365

    57. D4881

    58. Ft-0694718

    59. Ft-0722573

    60. 4-oxo-1,4-dihydroquinolin-3-carboxylic Acid

    61. Ec-000.2269

    62. En300-33582

    63. 4-oxo-1, 4-dihydroquinoline-3-carboxylic Acid

    64. W10229

    65. Ab00672488-01

    66. A822397

    67. Ac-907/34127058

    68. Sr-01000425951

    69. J-650307

    70. Sr-01000425951-1

    71. F0777-1767

    72. F2124-0013

    73. Z234897021

    74. 4-oxo-1,4-dihydro-3-quinolinecarboxylic Acid, Aldrichcpr

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 189.17 g/mol
    Molecular Formula C10H7NO3
    XLogP31.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area66.4
    Heavy Atom Count14
    Formal Charge0
    Complexity309
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1