TL;DR: (5R)-1'-methyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione (CAS 1164521-44-1) is a chemical compound with molecular formula C22H22N4O3 and molecular weight 390.1692 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5R)-1-methyl-3'-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
Also Known As: (5R)-1'-methyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione
| Molecular Formula | C22H22N4O3 |
| Molecular Weight | 390.1692 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 73.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 390.1692 Da |
| Heavy Atoms | 29 |
| Complexity | 706.0 |
| SMILES | CN1C(=O)[C@@]2(CC3=CC=CC=C3N4C2CN(CC4)C5=CC=CC=C5)C(=O)NC1=O |
| InChIKey | KGXFOPOXFFNRAL-LMNIDFBRSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5R)-1'-methyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione. The TPSA of 73.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5R)-1'-methyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione. Following Lipinski's Rule of Five, (5R)-1'-methyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (5R)-1'-methyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione is 1164521-44-1.
The molecular formula of (5R)-1'-methyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione is C22H22N4O3.
The molecular weight of (5R)-1'-methyl-3-phenyl-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione is 390.1692 g/mol.
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