200,000+ products from a single source!
sales@angenechem.com
Home > Quinoline > 1048038-90-9
1048038-90-9 | N-(Adamant-1-yl)-6-isopropyl-4-oxo-1-pentyl-1,4-dihydroquinolin-3-carboxamide
CAS No: 1048038-90-9 Catalog No: AG008ST1 MDL No:
Product Description
Catalog Number:
AG008ST1
Chemical Name:
N-(Adamant-1-yl)-6-isopropyl-4-oxo-1-pentyl-1,4-dihydroquinolin-3-carboxamide
CAS Number:
1048038-90-9
Molecular Formula:
C28H38N2O2
Molecular Weight:
434.6135
IUPAC Name:
N-(1-adamantyl)-4-oxo-1-pentyl-6-propan-2-ylquinoline-3-carboxamide
InChI:
InChI=1S/C28H38N2O2/c1-4-5-6-9-30-17-24(26(31)23-13-22(18(2)3)7-8-25(23)30)27(32)29-28-14-19-10-20(15-28)12-21(11-19)16-28/h7-8,13,17-21H,4-6,9-12,14-16H2,1-3H3,(H,29,32)
InChI Key:
KUMKLUDNETVLDS-UHFFFAOYSA-N
SMILES:
CCCCCn1cc(C(=O)NC23C[C@@H]4C[C@H](C3)C[C@H](C2)C4)c(=O)c2c1ccc(c2)C(C)C
Properties
Complexity:
728
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.293g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
434.624g/mol
Monoisotopic Mass:
434.293g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
Literature
| Title | Journal |
|---|---|
| Three-dimensional quantitative structure-selectivity relationships analysis guided rational design of a highly selective ligand for the cannabinoid receptor 2. | European journal of medicinal chemistry 20110201 |
| Investigations on the 4-quinolone-3-carboxylic acid motif. 3. Synthesis, structure-affinity relationships, and pharmacological characterization of 6-substituted 4-quinolone-3-carboxamides as highly selective cannabinoid-2 receptor ligands. | Journal of medicinal chemistry 20100826 |
| Investigations on the 4-quinolone-3-carboxylic acid motif. 2. Synthesis and structure-activity relationship of potent and selective cannabinoid-2 receptor agonists endowed with analgesic activity in vivo. | Journal of medicinal chemistry 20080828 |
Related Products
© 2019 Angene International Limited. All rights Reserved.