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1314230-69-7 | 4-Quinolone-3-Carboxamide CB2 Ligand
CAS No: 1314230-69-7 Catalog No: AG009BMV MDL No:
Product Description
Catalog Number:
AG009BMV
Chemical Name:
4-Quinolone-3-Carboxamide CB2 Ligand
CAS Number:
1314230-69-7
Molecular Formula:
C26H34N2O3
Molecular Weight:
422.5598
IUPAC Name:
N-(1-adamantyl)-8-methoxy-4-oxo-1-pentylquinoline-3-carboxamide
InChI:
InChI=1S/C26H34N2O3/c1-3-4-5-9-28-16-21(24(29)20-7-6-8-22(31-2)23(20)28)25(30)27-26-13-17-10-18(14-26)12-19(11-17)15-26/h6-8,16-19H,3-5,9-15H2,1-2H3,(H,27,30)
InChI Key:
YGNQQLUXHGNAEG-UHFFFAOYSA-N
SMILES:
CCCCCn1cc(C(=O)N[C@]23CC4C[C@@H](C3)C[C@@H](C2)C4)c(=O)c2c1c(OC)ccc2
Properties
Complexity:
704
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.257g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.569g/mol
Monoisotopic Mass:
422.257g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
Literature
| Title | Journal |
|---|---|
| Investigations on the 4-quinolone-3-carboxylic acid motif. 4. Identification of new potent and selective ligands for the cannabinoid type 2 receptor with diverse substitution patterns and antihyperalgesic effects in mice. | Journal of medicinal chemistry 20110811 |
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