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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