TL;DR: 7,7-dimethyl-4-(5-nitrofuran-2-yl)-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione (CAS 128839-43-0) is a chemical compound with molecular formula C15H16N2O5 and molecular weight 304.10593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7,7-dimethyl-4-(5-nitrofuran-2-yl)-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
Also Known As: 7,7-dimethyl-4-(5-nitrofuran-2-yl)-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione, AI-559/36942016, 4-{5-nitro-2-furyl}-7,7-dimethyl-4,6,7,8-tetrahydro-2,5(1H,3H)-quinolinedione, 7,7-dimethyl-4-(5-nitro(2-furyl))-1,3,4,6,7,8-hexahydroquinoline-2,5-dione, 7,7-dimethyl-4-(5-nitrofuran-2-yl)-3,4,7,8-tetrahydroquinoline-2,5(1H,6H)-dione
| Molecular Formula | C15H16N2O5 |
| Molecular Weight | 304.10593 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 304.10593 Da |
| Heavy Atoms | 22 |
| Complexity | 575.0 |
| SMILES | CC1(CC2=C(C(CC(=O)N2)C3=CC=C(O3)[N+](=O)[O-])C(=O)C1)C |
| InChIKey | SSVMNTKZZICAJZ-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,7-dimethyl-4-(5-nitrofuran-2-yl)-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,7-dimethyl-4-(5-nitrofuran-2-yl)-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione. Following Lipinski's Rule of Five, 7,7-dimethyl-4-(5-nitrofuran-2-yl)-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione 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 7,7-dimethyl-4-(5-nitrofuran-2-yl)-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione is 128839-43-0.
The molecular formula of 7,7-dimethyl-4-(5-nitrofuran-2-yl)-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione is C15H16N2O5.
The molecular weight of 7,7-dimethyl-4-(5-nitrofuran-2-yl)-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione is 304.10593 g/mol.
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