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16054-93-6 | 4H-Pyrido[1,2-a]pyrimidin-4-one, 2-phenyl-
CAS No: 16054-93-6 Catalog No: AG001S0Z MDL No:MFCD06637703
Product Description
Catalog Number:
AG001S0Z
Chemical Name:
4H-Pyrido[1,2-a]pyrimidin-4-one, 2-phenyl-
CAS Number:
16054-93-6
Molecular Formula:
C14H10N2O
Molecular Weight:
222.2420
MDL Number:
MFCD06637703
IUPAC Name:
2-phenylpyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C14H10N2O/c17-14-10-12(11-6-2-1-3-7-11)15-13-8-4-5-9-16(13)14/h1-10H
InChI Key:
VAKQBHALQXEEAG-UHFFFAOYSA-N
SMILES:
O=c1cc(nc2n1cccc2)c1ccccc1
NSC Number:
156830
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.247g/mol
Monoisotopic Mass:
222.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Identification of pyrido[1,2-α]pyrimidine-4-ones as new molecules improving the transcriptional functions of estrogen-related receptor α. | Journal of medicinal chemistry 20111110 |
| Pyrido[1,2-a]pyrimidin-4-one derivatives as a novel class of selective aldose reductase inhibitors exhibiting antioxidant activity. | Journal of medicinal chemistry 20071004 |
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