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    CAS 190728-25-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 190728-25-7, 4-((6,7-dimethoxyquinolin-4-yl)oxy)aniline, 4-(6,7-dimethoxyquinolin-4-yl)oxyaniline, 4-[(6,7-dimethoxyquinolin-4-yl)oxy]aniline, 4-[(6,7-dimethoxy-4-quinolyl)oxy]aniline, 4-(6,7-dimethoxyquinolin-4-yloxy)aniline
    Molecular Formula
    C17H16N2O3
    Molecular Weight
    296.32  g/mol
    InChI Key
    VXEQRXJATQUJSN-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(6,7-dimethoxyquinolin-4-yl)oxyaniline
    2.1.2 InChI
    InChI=1S/C17H16N2O3/c1-20-16-9-13-14(10-17(16)21-2)19-8-7-15(13)22-12-5-3-11(18)4-6-12/h3-10H,18H2,1-2H3
    2.1.3 InChI Key
    VXEQRXJATQUJSN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 190728-25-7

    2. 4-((6,7-dimethoxyquinolin-4-yl)oxy)aniline

    3. 4-(6,7-dimethoxyquinolin-4-yl)oxyaniline

    4. 4-[(6,7-dimethoxyquinolin-4-yl)oxy]aniline

    5. 4-[(6,7-dimethoxy-4-quinolyl)oxy]aniline

    6. 4-(6,7-dimethoxyquinolin-4-yloxy)aniline

    7. 6,7-dimethoxy-4-(4-aminophenoxy)quinoline

    8. Benzenamine, 4-[(6,7-dimethoxy-4-quinolinyl)oxy]-

    9. Mfcd19685633

    10. 4-(4-aminophenoxy)-6,7-dimethoxyquinoline

    11. Schembl167396

    12. Chembl3667501

    13. Amy1790

    14. Dtxsid40469172

    15. Bdbm153646

    16. Bcp10283

    17. Zinc13859458

    18. Akos005261203

    19. Ccg-332646

    20. Sb18182

    21. 4-(6,7-dimethoxy-4-quinolyloxy)aniline

    22. Ac-29723

    23. As-19585

    24. Sy212142

    25. 4-[(6,7dimethoxy-4-quinolyl)oxy]aniline

    26. Cs-0043365

    27. D5070

    28. Ft-0701256

    29. 4-(6,7-dimethoxyquinolin-4-yloxy)benzenamine

    30. 4-(6,7-dimethoxyquinolin-4-yloxy)phenylamine

    31. 4-[(6,7-dimethoxy-4-quinolyl)oxy-]aniline

    32. 6,7-dimethoxy-4-(4-aminophenyloxy)quinoline

    33. J3.598.033d

    34. 4-(6,7-dimethoxy-quinoline-4-yloxy)-phenylamine

    35. A852270

    36. Us8999982, 4-((6,7-dimethoxyquinolin-4- Yl)oxy)aniline

    37. 6,7-dimethoxy-4-(4-aminophenoxy)quinoline;4-(6,7-dimethoxyquinolin-4-yl)oxyaniline

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 296.32 g/mol
    Molecular Formula C17H16N2O3
    XLogP33
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass296.11609238 g/mol
    Monoisotopic Mass296.11609238 g/mol
    Topological Polar Surface Area66.6 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity347
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1