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    CAS 183322-18-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 183322-18-1, Quinazoline, 4-chloro-6,7-bis(2-methoxyethoxy)-, Cp-335963, Mfcd09751265, K44upe46kj, 4-chloro-6,7-(2-methoxyethoxy)-quinazoline
    Molecular Formula
    C14H17ClN2O4
    Molecular Weight
    312.75  g/mol
    InChI Key
    ZPJLDMNVDPGZIU-UHFFFAOYSA-N
    FDA UNII
    K44UPE46KJ
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-chloro-6,7-bis(2-methoxyethoxy)quinazoline
    2.1.2 InChI
    InChI=1S/C14H17ClN2O4/c1-18-3-5-20-12-7-10-11(16-9-17-14(10)15)8-13(12)21-6-4-19-2/h7-9H,3-6H2,1-2H3
    2.1.3 InChI Key
    ZPJLDMNVDPGZIU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COCCOC1=C(C=C2C(=C1)C(=NC=N2)Cl)OCCOC
    2.2 Other Identifiers
    2.2.1 UNII
    K44UPE46KJ
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 183322-18-1

    2. Quinazoline, 4-chloro-6,7-bis(2-methoxyethoxy)-

    3. Cp-335963

    4. Mfcd09751265

    5. K44upe46kj

    6. 4-chloro-6,7-(2-methoxyethoxy)-quinazoline

    7. 4-chloro-6,7-bis-(2-methoxy-ethoxy)-quinazoline

    8. 4-chloro-6,7-bis-(2-methoxyethoxy)quinazoline

    9. Pf-508367

    10. 4-chloro-6,7-(2-methoxyethoxy)quinazoline

    11. Erlotinib Chloro Impurity

    12. Unii-k44upe46kj

    13. Di-n-octadecylphosphate

    14. Schembl163465

    15. Dtxsid70461407

    16. Hms3263i16

    17. Bcp26354

    18. Tox21_501087

    19. Zinc39326127

    20. Akos015851220

    21. Ac-6915

    22. Ccg-222391

    23. Cs-w007977

    24. Gs-4328

    25. Sb67325

    26. Ncgc00261772-01

    27. Sy017617

    28. Am20090620

    29. Ft-0650149

    30. 4-chloro-6,7-bis(2-methoxyethoxy) Quinazoline

    31. 4-chloro-6,7-di-(2-methoxyethoxy)quinazoline

    32. 4-chloro-6,7-bis (2-methoxyethoxy) Quinazoline

    33. 4-chloro-6,7-bis (2-methoxyethoxy)-quinazoline

    34. 4-chloro-6,7-bis-(2-methoxyethoxy)-quinazoline

    35. 4-chloro-6,7-di-(2-methoxyethoxy) Quinazoline

    36. Cp-335963, >=98% (hplc)

    37. (6,7-bis(2-methoxyethoxy))-4-chloro-quinazoline

    38. 322c181

    39. A812768

    40. Q-101338

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 312.75 g/mol
    Molecular Formula C14H17ClN2O4
    XLogP32.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count8
    Exact Mass312.0876847 g/mol
    Monoisotopic Mass312.0876847 g/mol
    Topological Polar Surface Area62.7 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity298
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1