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    CAS 68236-20-4

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 68236-20-4, 2-chloro-7-methoxy-quinoline-3-carbaldehyde, 2-chloro-7-methoxy-3-quinolinecarbaldehyde, 2-chloro-7-methoxyquinoline-3-carboxaldehyde, 3-quinolinecarboxaldehyde, 2-chloro-7-methoxy-, Mfcd02227048
    Molecular Formula
    C11H8ClNO2
    Molecular Weight
    221.64  g/mol
    InChI Key
    WRXZCLBKDXISQA-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-chloro-7-methoxyquinoline-3-carbaldehyde
    2.1.2 InChI
    InChI=1S/C11H8ClNO2/c1-15-9-3-2-7-4-8(6-14)11(12)13-10(7)5-9/h2-6H,1H3
    2.1.3 InChI Key
    WRXZCLBKDXISQA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC2=NC(=C(C=C2C=C1)C=O)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 68236-20-4

    2. 2-chloro-7-methoxy-quinoline-3-carbaldehyde

    3. 2-chloro-7-methoxy-3-quinolinecarbaldehyde

    4. 2-chloro-7-methoxyquinoline-3-carboxaldehyde

    5. 3-quinolinecarboxaldehyde, 2-chloro-7-methoxy-

    6. Mfcd02227048

    7. Quinolinecarbaldehyde

    8. 2-chloro-7-methoxy-3-

    9. 3-quinolinecarboxaldehyde,2-chloro-7-methoxy-

    10. Oprea1_613254

    11. Oprea1_772346

    12. Schembl3210785

    13. Chembl4530346

    14. Dtxsid60366391

    15. Albb-024799

    16. Amy31387

    17. Zinc2578394

    18. Bbl012131

    19. Stk803067

    20. Akos000111366

    21. Ab11595

    22. Sy037456

    23. 2-chloro-7-methoxyquinolin-3-carbaldehyde

    24. Upcmld0enat0507-8928:001

    25. Db-020901

    26. Bb 0238502

    27. Cs-0067897

    28. Ft-0641171

    29. 2-chloro-7-methoxy-quinoline-3-carbaldehyd E

    30. En300-01132

    31. 2-chloro-7-methoxyquinoline-2-carbaldehyde

    32. A836059

    33. Ag-664/25098046

    34. 12r-0028

    35. J-508993

    2.3 Create Date
    2005-07-14
    3 Chemical and Physical Properties
    Molecular Weight 221.64 g/mol
    Molecular Formula C11H8ClNO2
    XLogP32.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass221.0243562 g/mol
    Monoisotopic Mass221.0243562 g/mol
    Topological Polar Surface Area39.2 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity237
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1