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    CAS 70500-72-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 70500-72-0, 2,7-dihydroxyquinoline, 7-hydroxy-1h-quinolin-2-one, 7-hydroxyquinolinone, Quinoline-2,7-diol, 7-hydroxycarbostyril
    Molecular Formula
    C9H7NO2
    Molecular Weight
    161.16  g/mol
    InChI Key
    DBSPUDKBNOZFMX-UHFFFAOYSA-N
    FDA UNII
    3B25C3NP9L
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-hydroxy-1H-quinolin-2-one
    2.1.2 InChI
    InChI=1S/C9H7NO2/c11-7-3-1-6-2-4-9(12)10-8(6)5-7/h1-5,11H,(H,10,12)
    2.1.3 InChI Key
    DBSPUDKBNOZFMX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC2=C1C=CC(=O)N2)O
    2.2 Other Identifiers
    2.2.1 UNII
    3B25C3NP9L
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 70500-72-0

    2. 2,7-dihydroxyquinoline

    3. 7-hydroxy-1h-quinolin-2-one

    4. 7-hydroxyquinolinone

    5. Quinoline-2,7-diol

    6. 7-hydroxycarbostyril

    7. 7-hydroxy-2(1h)-quinolinone

    8. 2(1h)-quinolinone, 7-hydroxy-

    9. 7-hydroxyquinoline-(1h)-2-one

    10. 7-hydroxy-1,2-dihydroquinolin-2-one

    11. 7-hydroxy-2-quinolone

    12. 3b25c3np9l

    13. Mfcd04117979

    14. 7-hydroxy-2-quinolinone

    15. 7-hydroxy-quinolone

    16. Aripiprazole Impurity 16

    17. Unii-3b25c3np9l

    18. 7-hydroxy-2(1h)-quinolone

    19. Schembl252706

    20. Amy489

    21. Chebi:48987

    22. Dtxsid30450372

    23. Act01971

    24. Albb-023570

    25. Bcp12809

    26. Zinc2529224

    27. Bbl104225

    28. Fd7357

    29. S3936

    30. Stl558220

    31. Akos005259211

    32. Akos015919838

    33. Ac-1063

    34. Ccg-266286

    35. Cs-w019815

    36. Fs-2844

    37. Gs-3122

    38. Mb03359

    39. Sy047363

    40. Db-007209

    41. Ft-0601103

    42. 500h720

    43. A836903

    44. J-507539

    45. Q27121423

    46. 7-hydroxy-1h-quinolin-2-one;7-hydroxyquinolin-2(1h)-one

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 161.16 g/mol
    Molecular Formula C9H7NO2
    XLogP30.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass161.047678466 g/mol
    Monoisotopic Mass161.047678466 g/mol
    Topological Polar Surface Area49.3 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity225
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1