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    CAS 503615-03-0

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
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    2D Structure
    Also known as: 503615-03-0, 3-(4-morpholinyl)-1-(4-nitrophenyl)-5,6-dihydro-2(1h)-pyridinone, 5,6-dihydro-3-(4-morpholinyl)-1-(4-nitrophenyl)-2(1h)-pyridinone, 5-morpholin-4-yl-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one, 2(1h)-pyridinone, 5,6-dihydro-3-(4-morpholinyl)-1-(4-nitrophenyl)-, Mfcd19440872
    Molecular Formula
    C15H17N3O4
    Molecular Weight
    303.31  g/mol
    InChI Key
    LBFAEOWNWSDWRZ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-morpholin-4-yl-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one
    2.1.2 InChI
    InChI=1S/C15H17N3O4/c19-15-14(16-8-10-22-11-9-16)2-1-7-17(15)12-3-5-13(6-4-12)18(20)21/h2-6H,1,7-11H2
    2.1.3 InChI Key
    LBFAEOWNWSDWRZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(C(=O)C(=C1)N2CCOCC2)C3=CC=C(C=C3)[N+](=O)[O-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 503615-03-0

    2. 3-(4-morpholinyl)-1-(4-nitrophenyl)-5,6-dihydro-2(1h)-pyridinone

    3. 5,6-dihydro-3-(4-morpholinyl)-1-(4-nitrophenyl)-2(1h)-pyridinone

    4. 5-morpholin-4-yl-1-(4-nitrophenyl)-2,3-dihydropyridin-6-one

    5. 2(1h)-pyridinone, 5,6-dihydro-3-(4-morpholinyl)-1-(4-nitrophenyl)-

    6. Mfcd19440872

    7. 3-(morpholinyl)-n-(4-nitrophenyl)-5,6-dihydropyridin-2-one

    8. Schembl1995413

    9. Dtxsid90620357

    10. Amy31239

    11. Bcp11848

    12. Cs-m1442

    13. Akos015951080

    14. Zinc100004338

    15. As-19240

    16. Da-18294

    17. Sy227010

    18. Ft-0754958

    19. A846988

    20. 3-morpholino-1-(4-nitrophenyl) -5,6-dihydropyridin-2(1h)-one

    21. 3-(morpholin-4-yl)-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1h)-one

    22. 3-morpholin-4-yl-1-(4-nitro-phenyl)-5,6-dihydro-1h-pyridin-2-one

    23. 5,6-dihydro-3-(4-morpholinyl)-1-(4-nitrophenyl)-2(1h)-pyridinone;3-morpholino-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1h)-one

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 303.31 g/mol
    Molecular Formula C15H17N3O4
    XLogP31.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass303.12190603 g/mol
    Monoisotopic Mass303.12190603 g/mol
    Topological Polar Surface Area78.6 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity460
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1