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103914-79-0 | 4-oxo-1,4-dihydroquinoline-3-carboxamide
CAS No: 103914-79-0 Catalog No: AG01C2CM MDL No:MFCD11646080
Product Description
Catalog Number:
AG01C2CM
Chemical Name:
4-oxo-1,4-dihydroquinoline-3-carboxamide
CAS Number:
103914-79-0
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD11646080
IUPAC Name:
4-oxo-1H-quinoline-3-carboxamide
InChI:
InChI=1S/C10H8N2O2/c11-10(14)7-5-12-8-4-2-1-3-6(8)9(7)13/h1-5H,(H2,11,14)(H,12,13)
InChI Key:
CVAWACBLSANHSQ-UHFFFAOYSA-N
SMILES:
NC(=O)c1c[nH]c2c(c1=O)cccc2
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Preparative enantiomeric separation of new selective CB2 receptor agonists by liquid chromatography on polysaccharide-based chiral stationary phases: determination of enantiomeric purity and assignment of absolute stereochemistry by X-ray structure analysis. | Chirality 20110501 |
| H1521, a novel derivative of 4-hydroxyquinoline-3-carboxamide, suppresses the development of lupus in mice by inducing Th1 cytokine profile in T cells. | International immunopharmacology 20110401 |
| 4-Oxo-1,4-dihydropyridines as selective CB2 cannabinoid receptor ligands: structural insights into the design of a novel inverse agonist series. | Journal of medicinal chemistry 20101125 |
| Chiral resolution of the enantiomers of new selective CB(2) receptor agonists by liquid chromatography on amylose stationary phases. | Journal of pharmaceutical and biomedical analysis 20080414 |
| Design, synthesis, and biological evaluation of new 1,8-naphthyridin-4(1H)-on-3-carboxamide and quinolin-4(1H)-on-3-carboxamide derivatives as CB2 selective agonists. | Journal of medicinal chemistry 20061005 |
| Novel 4-oxo-1,4-dihydroquinoline-3-carboxamide derivatives as new CB2 cannabinoid receptors agonists: synthesis, pharmacological properties and molecular modeling. | Journal of medicinal chemistry 20060112 |
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