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    Technical details about CAS 120004-79-7, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 120004-79-7

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    2D Structure
    1. Also known as: 120004-79-7, 3,4-dihydro-7-(4-chlorobutoxy)-2(1h)-quinolinone, 7-(4-chlorobutoxy)-3,4-dihydro-1h-quinolin-2-one, 7-(4-chlorobutoxy)-3,4-dihydro-2(1h)-quinolinone, 2(1h)-quinolinone, 7-(4-chlorobutoxy)-3,4-dihydro-, Aripiprazole impurity e
    Molecular Formula
    C13H16ClNO2
    Molecular Weight
    253.72  g/mol
    InChI Key
    SRMLSNBGMDJSJH-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-(4-chlorobutoxy)-3,4-dihydro-1H-quinolin-2-one
    2.1.2 InChI
    InChI=1S/C13H16ClNO2/c14-7-1-2-8-17-11-5-3-10-4-6-13(16)15-12(10)9-11/h3,5,9H,1-2,4,6-8H2,(H,15,16)
    2.1.3 InChI Key
    SRMLSNBGMDJSJH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC(=O)NC2=C1C=CC(=C2)OCCCCCl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 120004-79-7

    2. 3,4-dihydro-7-(4-chlorobutoxy)-2(1h)-quinolinone

    3. 7-(4-chlorobutoxy)-3,4-dihydro-1h-quinolin-2-one

    4. 7-(4-chlorobutoxy)-3,4-dihydro-2(1h)-quinolinone

    5. 2(1h)-quinolinone, 7-(4-chlorobutoxy)-3,4-dihydro-

    6. Aripiprazole Impurity E

    7. Schembl238817

    8. 7-(4-chlorobutoxy)-3,4-dihydro C2(1h)-quinolinone

    9. Dtxsid70440419

    10. Mfcd07787529

    11. Zinc21985905

    12. Akos015901402

    13. Ac-8059

    14. As-68439

    15. 7-(4-chlorobutoxy)-3,4-dihydrocarbostyril

    16. Db-025249

    17. 7-(4-chloro Butoxy)-3,4-dihydrocarbostyril

    18. Am20090767

    19. Cs-0036678

    20. Ft-0655809

    21. W14961

    22. 004d797

    23. A804407

    24. 7-(4-chlorobutoxy)-3,4-dihydro-(1h)-quinolinone

    25. 7-(4-chlorobutoxy)-3,4-dihydroquinoline-2(1h)-one

    26. 7-(4-chloranylbutoxy)-3,4-dihydro-1h-quinolin-2-one

    27. 7-(4-chlorobutoxy)-1,2,3,4-tetrahydroquinolin-2-one

    28. 3,4-dihydro-7-(4-chlorobutoxy)-2(1h)-quinolinone;7-(4-chlorobutoxy)-3,4-dihydro-2(1h)-quinolinone

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 253.72 g/mol
    Molecular Formula C13H16ClNO2
    XLogP32.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count5
    Exact Mass253.0869564 g/mol
    Monoisotopic Mass253.0869564 g/mol
    Topological Polar Surface Area38.3 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity260
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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