Please Wait
Applying Filters...
menu
    • menu
    Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

    Virtual Booth

    Contact Supplier

    Jai Radhe Sales is your partner for all your sourcing needs.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    Egis is a Hungarian generic pharma company with 110 years history. Our activities incorporate all areas of the pharma value chain.

    Virtual Booth

    Contact Supplier

    Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    Menu

    CAS 380844-49-5

    BUILDING BLOCK

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 380844-49-5, 7-(3-chloropropoxy)-4-(2,4-dichloro-5-methoxyanilino)-6-methoxyquinoline-3-carbonitrile, Mfcd09833975, 7-(3-chloropropoxy)-4-(2,4-dichloro-5-methoxyphenyl-amino)-6-methoxyquinoline-3-carbonitrile, 7-(3-chloropropoxy)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methoxyquinoline-3-carbonitrile, 7-(3-chloro-propoxy)-4-(2,4-dichloro-5-methoxy-phenylamino)-6-methoxy-quinoline-3-carbonitrile
    Molecular Formula
    C21H18Cl3N3O3
    Molecular Weight
    466.7  g/mol
    InChI Key
    GASHKCRNJZBFBE-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-(3-chloropropoxy)-4-(2,4-dichloro-5-methoxyanilino)-6-methoxyquinoline-3-carbonitrile
    2.1.2 InChI
    InChI=1S/C21H18Cl3N3O3/c1-28-18-9-17(14(23)7-15(18)24)27-21-12(10-25)11-26-16-8-20(30-5-3-4-22)19(29-2)6-13(16)21/h6-9,11H,3-5H2,1-2H3,(H,26,27)
    2.1.3 InChI Key
    GASHKCRNJZBFBE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=C(C=C3Cl)Cl)OC)OCCCCl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 380844-49-5

    2. 7-(3-chloropropoxy)-4-(2,4-dichloro-5-methoxyanilino)-6-methoxyquinoline-3-carbonitrile

    3. Mfcd09833975

    4. 7-(3-chloropropoxy)-4-(2,4-dichloro-5-methoxyphenyl-amino)-6-methoxyquinoline-3-carbonitrile

    5. 7-(3-chloropropoxy)-4-(2,4-dichloro-5-methoxyphenylamino)-6-methoxyquinoline-3-carbonitrile

    6. 7-(3-chloro-propoxy)-4-(2,4-dichloro-5-methoxy-phenylamino)-6-methoxy-quinoline-3-carbonitrile

    7. 7-(3-chloropropoxy)-4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxyquinoline-3-carbonitrile

    8. 7-(3-chloropropoxy)-4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-3-quinolinecarbonitrile

    9. 7-(3-chloro-propoxy)-4-(2,4-dichlor

    10. 7-[3-chloropropoxy]-4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-3-quinolinecarbonitrile

    11. Schembl2886333

    12. Dtxsid50453249

    13. Amy22109

    14. Zinc22012788

    15. Akos024262328

    16. Ds-9126

    17. Ac-25045

    18. Da-35889

    19. Sy103477

    20. Cs-0187241

    21. Ft-0716580

    22. C74946

    23. A851929

    24. 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-(3-chloropropoxy)quinoline-3-carbonitrile

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 466.7 g/mol
    Molecular Formula C21H18Cl3N3O3
    XLogP36.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count8
    Exact Mass465.041375 g/mol
    Monoisotopic Mass465.041375 g/mol
    Topological Polar Surface Area76.4 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity592
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1