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    Technical details about 179688-29-0, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 179688-29-0

    Manufacturers/Suppliers

    PharmaCompass

    Boai NKY Pharmaceuticals Ltd. is one of the largest global PVP suppliers.

    Renejix: CDMO with expertise in small molecule oral dosage, delivery tech, and multi-modality manufacturing.

    2D Structure
    1. Also known as: 179688-29-0, 6,7-bis-(2-methoxyethoxy)-4(3h)-quinazolinone, 6,7-bis(2-methoxyethoxy)quinazolin-4(1h)-one, Cp-380736, 6,7-bis(2-methoxyethoxy)-4(3h)-quinazolinone, 6,7-bis(2-methoxyethoxy)-3,4-dihydroquinazolin-4-one
    Molecular Formula
    C14H18N2O5
    Molecular Weight
    294.30  g/mol
    InChI Key
    PMQWTUWLIGJTQD-UHFFFAOYSA-N
    FDA UNII
    B5ASH28MRM
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one
    2.1.2 InChI
    InChI=1S/C14H18N2O5/c1-18-3-5-20-12-7-10-11(15-9-16-14(10)17)8-13(12)21-6-4-19-2/h7-9H,3-6H2,1-2H3,(H,15,16,17)
    2.1.3 InChI Key
    PMQWTUWLIGJTQD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COCCOC1=C(C=C2C(=C1)C(=O)NC=N2)OCCOC
    2.2 Other Identifiers
    2.2.1 UNII
    B5ASH28MRM
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 179688-29-0

    2. 6,7-bis-(2-methoxyethoxy)-4(3h)-quinazolinone

    3. 6,7-bis(2-methoxyethoxy)quinazolin-4(1h)-one

    4. Cp-380736

    5. 6,7-bis(2-methoxyethoxy)-4(3h)-quinazolinone

    6. 6,7-bis(2-methoxyethoxy)-3,4-dihydroquinazolin-4-one

    7. 6,7-bis(2-methoxyethoxy)-1h-quinazolin-4-one

    8. 6,7-bis(2-methoxyethoxy)-3h-quinazolin-4-one

    9. 6,7-bis-(2-methoxyethoxy)-quinazolin-4(3h)-one

    10. 4(3h)-quinazolinone, 6,7-bis(2-methoxyethoxy)-

    11. Mfcd02678087

    12. B5ash28mrm

    13. 6,7-bis(2-methoxyethoxy)quinazolin-4-ol

    14. 4(1h)-quinazolinone, 6,7-bis(2-methoxyethoxy)-

    15. Pf-00520893

    16. Unii-b5ash28mrm

    17. Schembl263796

    18. Chembl1713411

    19. Dtxsid00384594

    20. Hms1662h06

    21. Hms3260f19

    22. Bcp02605

    23. Zinc4302043

    24. Tox21_500189

    25. Ccg-43571

    26. Akos000282901

    27. Akos025402163

    28. Ac-5914

    29. Ac-6916

    30. Cs-w002950

    31. Fd16019

    32. Sb67315

    33. Ncgc00260874-01

    34. As-11435

    35. Cp380736

    36. Sy033245

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

    38. 6,7-bis(2-methoxyethoxy)-4-quinazolinone

    39. 6,7-bis(2-methoxyethoxy)quinazolin-4-one

    40. 6,7-bis(2-methoxyethoxy)quinazoline-4-ol

    41. Cp 380736

    42. A3986

    43. Am20090625

    44. B4270

    45. Ft-0651482

    46. Pf00520893

    47. Pf 00520893

    48. 6,7-bis(2-methoxyethoxy)-4-hydroxyquinazoline

    49. 6,7-bis-(2-methoxyethoxy)-4(3h)quinazolinone

    50. 6,7-bis(2-methoxyethoxy)-4(1h)-quinazolinone

    51. Cp-380736, >=98% (hplc)

    52. Pf00520893cp 380736

    53. 6,7-bis-(2-methoxy-ethoxy)-3h-quinazolin-4-one

    54. 6,7-bis-(2-methoxyethoxy)-4 (3h) Quinazolinone

    55. 688b290

    56. A1-01728

    57. Q-101337

    58. Sr-01000633479-1

    59. Sr-01000633479-2

    2.4 Create Date
    2019-01-15
    3 Chemical and Physical Properties
    Molecular Weight 294.30 g/mol
    Molecular Formula C14H18N2O5
    XLogP30.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count8
    Exact Mass294.12157168 g/mol
    Monoisotopic Mass294.12157168 g/mol
    Topological Polar Surface Area78.4 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity363
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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