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    CAS 99010-64-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 99010-64-7, 4-chloro-1-isobutyl-1h-imidazo[4,5-c]quinoline, 4-chloro-1-(2-methylpropyl)imidazo[4,5-c]quinoline, Chlorodeaminoimiquimod, Nsc672965, Nj5e4gy4ny
    Molecular Formula
    C14H14ClN3
    Molecular Weight
    259.73  g/mol
    InChI Key
    RRCWSLBKLVBFQD-UHFFFAOYSA-N
    FDA UNII
    NJ5E4GY4NY
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-chloro-1-(2-methylpropyl)imidazo[4,5-c]quinoline
    2.1.2 InChI
    InChI=1S/C14H14ClN3/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3
    2.1.3 InChI Key
    RRCWSLBKLVBFQD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2Cl
    2.2 Other Identifiers
    2.2.1 UNII
    NJ5E4GY4NY
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 99010-64-7

    2. 4-chloro-1-isobutyl-1h-imidazo[4,5-c]quinoline

    3. 4-chloro-1-(2-methylpropyl)imidazo[4,5-c]quinoline

    4. Chlorodeaminoimiquimod

    5. Nsc672965

    6. Nj5e4gy4ny

    7. Nsc-672965

    8. 4-chloro-1-(2-methylpropyl)-1h-imidazo(4,5-c)quinoline

    9. 4-chloro-1-isobutyl-imidazo[4,5-c]quinoline

    10. 4-chloro-1-isobutyl-1h-imidazo(4,5-c)quinoline

    11. Imiquimod Related Compound C

    12. Imiquimod Related Compound C [usp-rs]

    13. 4-chloro-1-isobutyl-1h-imidazo [4,5-c]quinoline

    14. 1h-imidazo(4,5-c)quinoline, 4-chloro-1-(2-methylpropyl)-

    15. Trifloxysulfuronsodium

    16. Unii-nj5e4gy4ny

    17. Chlorodeaminoimiquimod [usp]

    18. Chembl192111

    19. Schembl1774913

    20. Dtxsid50327633

    21. Amy18247

    22. Zinc1856597

    23. Mfcd06658174

    24. Akos015899334

    25. Ab25764

    26. Ac-26311

    27. As-16115

    28. Nci60_025857

    29. Db-000695

    30. Chlorodeaminoimiquimod [usp Impurity]

    31. Cs-0154218

    32. Ft-0642385

    33. 010c647

    34. 4-chloro-1-isobutyl-1h-imidazo[4,5-c]-quinoline

    35. A845944

    36. 4-chloro-1-isobuty-i-1h-imidazo[4,5-c]quinoline

    37. 1h-imidazo[4,5-c]quinoline,4-chloro-1-(2-methylpropyl)-

    38. 4-chloro-1-(2-methylpropyl)- 1h-imidazo[4,5-c]quinoline

    39. 4-chloro-1-(2-methylpropyl)-1h-imidazo[4,5-c]-quinoline

    40. 4-chloro-1-(2-methylpropyl)-1h-imidazo[4.5-c]-quinoline

    41. 4-chloro-l-(2-methylpropyl)-1h-imidazo[4,5-c]quinoline

    42. 4-chloro-1-(2-methylpropyl)-1h-imidazo [4,5-c]-quinoline

    43. 1-[2-methylpropyl]-1h-2-chloroimidazo-[4,5-c]quinoline

    44. 4-chloro-1-isobutyl-imidazo[4,5-c]quinoline;4-chloro-1-(2-methylpropyl)-1h-imidazo[4,5-c]quinoline

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 259.73 g/mol
    Molecular Formula C14H14ClN3
    XLogP33.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass259.0876252 g/mol
    Monoisotopic Mass259.0876252 g/mol
    Topological Polar Surface Area30.7 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity297
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1