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    Technical details about CAS 417721-36-9, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 417721-36-9

    BUILDING BLOCK

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    2D Structure
    Also known as: 417721-36-9, 7-methoxy-4-chloro-quinoline-6-carboxamide, Mfcd13192256, 4-chloro-7-methoxy-6-quinolinecarboxamide, Amy474, Schembl1323767
    Molecular Formula
    C11H9ClN2O2
    Molecular Weight
    236.65  g/mol
    InChI Key
    ZBTVNIDMGKZSGC-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-chloro-7-methoxyquinoline-6-carboxamide
    2.1.2 InChI
    InChI=1S/C11H9ClN2O2/c1-16-10-5-9-6(4-7(10)11(13)15)8(12)2-3-14-9/h2-5H,1H3,(H2,13,15)
    2.1.3 InChI Key
    ZBTVNIDMGKZSGC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC2=NC=CC(=C2C=C1C(=O)N)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 417721-36-9

    2. 7-methoxy-4-chloro-quinoline-6-carboxamide

    3. Mfcd13192256

    4. 4-chloro-7-methoxy-6-quinolinecarboxamide

    5. Amy474

    6. Schembl1323767

    7. Dtxsid10629105

    8. Bcp09852

    9. Zinc90529473

    10. Akos025146814

    11. Akos032949975

    12. Ds-8955

    13. Sb40539

    14. 6-carbamoyl-4-chloro-7-methoxyquinoline

    15. Ac-30101

    16. Sy060398

    17. 7-methoxy-4-chloroquinoline-6-carboxamide

    18. Cs-0014253

    19. Ft-0700528

    20. P11654

    21. A854805

    22. 4-chloro-7-methoxyquinoline-6-carboxylic Acid Amide

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 236.65 g/mol
    Molecular Formula C11H9ClN2O2
    XLogP31.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass236.0352552 g/mol
    Monoisotopic Mass236.0352552 g/mol
    Topological Polar Surface Area65.2 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity275
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1