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    CAS 30389-33-4

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 30389-33-4, 5-hydroxy-3,4-dihydro-2(1h)-quinolinone, 5-hydroxy-3,4-dihydro-1h-quinolin-2-one, 2(1h)-quinolinone, 3,4-dihydro-5-hydroxy-, 3,4-dihydro-5-hydroxy-2(1h)-quinolinone, 3,4-dihydro-5-hydroxy-1h-quinolin-2-one
    Molecular Formula
    C9H9NO2
    Molecular Weight
    163.17  g/mol
    InChI Key
    UTTJAIFHRUAFED-UHFFFAOYSA-N
    FDA UNII
    BH76UU379C
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-hydroxy-3,4-dihydro-1H-quinolin-2-one
    2.1.2 InChI
    InChI=1S/C9H9NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h1-3,11H,4-5H2,(H,10,12)
    2.1.3 InChI Key
    UTTJAIFHRUAFED-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC(=O)NC2=C1C(=CC=C2)O
    2.2 Other Identifiers
    2.2.1 UNII
    BH76UU379C
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 30389-33-4

    2. 5-hydroxy-3,4-dihydro-2(1h)-quinolinone

    3. 5-hydroxy-3,4-dihydro-1h-quinolin-2-one

    4. 2(1h)-quinolinone, 3,4-dihydro-5-hydroxy-

    5. 3,4-dihydro-5-hydroxy-2(1h)-quinolinone

    6. 3,4-dihydro-5-hydroxy-1h-quinolin-2-one

    7. 5-hydroxy-3,4-dihydrocarbostyril

    8. Mfcd01862194

    9. 3,4-dihydro-5-hydroxyquinolin-2(1h)-one

    10. Bh76uu379c

    11. 3,4-dihydro-5-hydroxycarbostyril

    12. 5-hydroxy-1,2,3,4-tetrahydro-2-quinolinone

    13. 5-hydroxy-3,4-dihydro-2-quinoline

    14. 5-hydroxydihydro-carbostyril

    15. Unii-bh76uu379c

    16. Schembl98299

    17. Carteolol Hcl Ep Impurity B

    18. Dtxsid20184472

    19. Hydroxy-3,4-dihydro-2-quinoline

    20. Chebi:183892

    21. 5-hydroxy-3,4-dihydro-carbostyril

    22. Amy40276

    23. Bcp13339

    24. Zinc6093821

    25. Ac-947

    26. Akos005255259

    27. Ds-15129

    28. Sy104338

    29. Db-008261

    30. Cs-0059153

    31. D5669

    32. Ft-0657926

    33. 5-hydroxy-1,2,3,4-tetrahydroquinolin-2-one

    34. A22238

    35. 389h334

    36. J-517603

    37. Carteolol Hydrochloride Impurity B [ep Impurity]

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 163.17 g/mol
    Molecular Formula C9H9NO2
    XLogP30.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass163.063328530 g/mol
    Monoisotopic Mass163.063328530 g/mol
    Topological Polar Surface Area49.3 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity193
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1