TL;DR: 2',6'-dihydroxy-8-nitro-3-propanoyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one (CAS 879470-10-7) is a chemical compound with molecular formula C18H19N5O6 and molecular weight 401.13354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8'-nitro-3'-propanoylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
Also Known As: 2',6'-dihydroxy-8-nitro-3-propanoyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one, 8'-nitro-3'-propanoylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione, 8-nitro-3-propionyl-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 | C18H19N5O6 |
| Molecular Weight | 401.13354 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 401.13354 Da |
| Heavy Atoms | 29 |
| Complexity | 759.0 |
| SMILES | CCC(=O)N1CCN2C(C1)C3(CC4=C2C=CC(=C4)[N+](=O)[O-])C(=O)NC(=O)NC3=O |
| InChIKey | BOLXCPRMAQGGKC-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2',6'-dihydroxy-8-nitro-3-propanoyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one. The TPSA of 145.0 Ų indicates high polarity, suggesting 2',6'-dihydroxy-8-nitro-3-propanoyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2',6'-dihydroxy-8-nitro-3-propanoyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2',6'-dihydroxy-8-nitro-3-propanoyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one is 879470-10-7.
The molecular formula of 2',6'-dihydroxy-8-nitro-3-propanoyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one is C18H19N5O6.
The molecular weight of 2',6'-dihydroxy-8-nitro-3-propanoyl-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one is 401.13354 g/mol.
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