CAS 503615-03-0

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1 Intermediates

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Chemistry

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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

CAS 503615-03-0

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 Formula	C₁₅H₁₇N₃O₄
Molecular Weight	303.31 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	303.12190603 g/mol
Monoisotopic Mass	303.12190603 g/mol
Topological Polar Surface Area	78.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	460
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1