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17326-31-7 | 4H-Pyrido[1,2-a]pyrimidin-4-one, 2-(4-morpholinyl)-
CAS No: 17326-31-7 Catalog No: AG001YQP MDL No:
Product Description
Catalog Number:
AG001YQP
Chemical Name:
4H-Pyrido[1,2-a]pyrimidin-4-one, 2-(4-morpholinyl)-
CAS Number:
17326-31-7
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
IUPAC Name:
2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C12H13N3O2/c16-12-9-11(14-5-7-17-8-6-14)13-10-3-1-2-4-15(10)12/h1-4,9H,5-8H2
InChI Key:
VDMRPNTZWKDYBB-UHFFFAOYSA-N
SMILES:
O=c1cc(nc2n1cccc2)N1CCOCC1
NSC Number:
110390
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Selective benzopyranone and pyrimido[2,1-a]isoquinolin-4-one inhibitors of DNA-dependent protein kinase: synthesis, structure-activity studies, and radiosensitization of a human tumor cell line in vitro. | Journal of medicinal chemistry 20050127 |
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