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    CAS 611-36-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Quinolin-4-ol, 611-36-9, 4-quinolinol, Quinolin-4(1h)-one, 529-37-3, 4(1h)-quinolinone
    Molecular Formula
    C9H7NO
    Molecular Weight
    145.16  g/mol
    InChI Key
    PMZDQRJGMBOQBF-UHFFFAOYSA-N
    FDA UNII
    M1O131WXFO
    4(1H)-quinolinone is a natural product found in Glycosmis parviflora and Glycosmis citrifolia with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1H-quinolin-4-one
    2.1.2 InChI
    InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)
    2.1.3 InChI Key
    PMZDQRJGMBOQBF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)C(=O)C=CN2
    2.2 Other Identifiers
    2.2.1 UNII
    M1O131WXFO
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Quinolin-4-ol

    2. 611-36-9

    3. 4-quinolinol

    4. Quinolin-4(1h)-one

    5. 529-37-3

    6. 4(1h)-quinolinone

    7. Kynurine

    8. 1h-quinolin-4-one

    9. 4-quinolone

    10. Quinoline, 4-hydroxy-

    11. 4-hydroxy Quinoline

    12. Mfcd00006777

    13. Ccris 4329

    14. 4-chinolinol

    15. Nsc 3183

    16. 1,4-dihydroquinolin-4-one

    17. Mfcd00956391

    18. M1o131wxfo

    19. Chebi:15815

    20. Nsc-3183

    21. 4-oxoquinoline

    22. Einecs 210-268-2

    23. Unii-m1o131wxfo

    24. Brn 1524969

    25. 3kpu

    26. 1h-quinoline-4one

    27. 4(1h)-quinolone

    28. 4-hydroxy-quinoline

    29. 4-oxo-1,4-dihydroquinoline

    30. 4-quinolinol, 98%

    31. Quinolin-4(1h);-one

    32. Oprea1_521432

    33. Schembl10031

    34. 4-quinolinol (8ci,9ci)

    35. Hydroxyquinoline, 4-

    36. Chembl1232567

    37. Bdbm14321

    38. Dtxsid50209980

    39. Nsc3183

    40. Chebi:155900

    41. Kuc100207n

    42. Act01927

    43. Bcp27058

    44. Cs-d1012

    45. Zinc8579890

    46. Ab4075

    47. Ac-516

    48. Kuc100207

    49. Nsc263800

    50. Stl129466

    51. Stl445698

    52. Akos000277429

    53. Akos005738113

    54. 4,5-dichloro-3-thiophenecarboxylicacid

    55. Am81187

    56. Nsc-263800

    57. Pb43148

    58. Sb67475

    59. As-10846

    60. Da-05172

    61. Hy-59208

    62. Sy002846

    63. Sy105850

    64. Db-031602

    65. Am20061372

    66. Eu-0033653

    67. Ft-0618750

    68. Ft-0712331

    69. Q0029

    70. En300-54449

    71. C06343

    72. 529h373

    73. J-512661

    74. J-650306

    75. W-105189

    76. Q27098240

    77. F0266-1090

    78. Z818727120

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 145.16 g/mol
    Molecular Formula C9H7NO
    XLogP30.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass145.052763847 g/mol
    Monoisotopic Mass145.052763847 g/mol
    Topological Polar Surface Area29.1 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity198
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1