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    CAS 231278-20-9

    BUILDING BLOCK

    MARKET PLACE

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    2D Structure
    Also known as: 231278-20-9, N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-iodoquinazolin-4-amine, N-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-iodoquinazolin-4-amine, N-[3-chloro-4-(3-fluorobenzyloxy)-phenyl]-6-iodoquinazolin-4-amine, 4-quinazolinamine, n-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodo-, N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-iodoquinazolin-4-amine
    Molecular Formula
    C21H14ClFIN3O
    Molecular Weight
    505.7  g/mol
    InChI Key
    UHFPFDMMKYQMLC-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodoquinazolin-4-amine
    2.1.2 InChI
    InChI=1S/C21H14ClFIN3O/c22-18-10-16(5-7-20(18)28-11-13-2-1-3-14(23)8-13)27-21-17-9-15(24)4-6-19(17)25-12-26-21/h1-10,12H,11H2,(H,25,26,27)
    2.1.3 InChI Key
    UHFPFDMMKYQMLC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)I)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 231278-20-9

    2. N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-iodoquinazolin-4-amine

    3. N-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-iodoquinazolin-4-amine

    4. N-[3-chloro-4-(3-fluorobenzyloxy)-phenyl]-6-iodoquinazolin-4-amine

    5. 4-quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodo-

    6. N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-iodoquinazolin-4-amine

    7. N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-iodoquinazolin-4-amine

    8. N-[3-chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-iodoquinazolin-4-amine

    9. Mfcd09998827

    10. 6-iodo-4-[3-chloro-4-(3-fluorobenzyloxy)anilino]quinazoline

    11. 4-[3-chloro-4-(3-fluorobenzyloxy)phenylamino]-6-iodoquinazoline

    12. N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodoquinazolin-4-amine

    13. N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-iodo-4-quinazolinamine

    14. N-(3-chloro-4-[(3-fluorobenzyl)oxy]phenyl)-6-iodoquinazolin-4-amine

    15. Schembl141514

    16. Dtxsid10436351

    17. Bcp22642

    18. Zinc22054565

    19. Akos015848952

    20. N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodo-4-quinazolinamine

    21. Ac-8334

    22. Cs-w011494

    23. Gs-3803

    24. Sb18203

    25. Bp-27845

    26. Sy053116

    27. Am20090640

    28. Ft-0658071

    29. 278c209

    30. A816573

    31. Q-101357

    32. 4-[3-chloro-4-(3-fluorobenzyloxy)anilino]-6-iodoquinazoline

    33. 4-[3-chloro-4-(3-fluorobenzyloxy)phenylamino]-6-iodoquinazolin

    34. N-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-iodo-4-quinazolinamine

    35. N-(4-(3-fluorobenzyloxy)-3-chlorophenyl)-6-iodoquinazolin-4-amine

    36. N-[3-chloro-4-(3-fluorobenzyloxy)phenyl]-6-iodoquinazoline-4-amine

    37. [3-chloro-4-(3-fluoro-benzyloxy)-phenyl]-(6-iodo-quinazolin-4-yl)-amine

    38. [3-chloro-4-(3-fluorobenzyloxy)phenyl]-(6-iodoquinazo-lin-4-yl)amine

    39. N-(3-chloro-4-((3-fluorobenzyl)oxy)-phenyl)-6-iodoquinazolin-4-amine

    40. N-[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]-6-iodanyl-quinazolin-4-amine

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 505.7 g/mol
    Molecular Formula C21H14ClFIN3O
    XLogP36.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count5
    Exact Mass504.98542 g/mol
    Monoisotopic Mass504.98542 g/mol
    Topological Polar Surface Area47 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity504
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1