TL;DR: 7-chloro-6-nitro-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one (CAS 110254-65-4) is a chemical compound with molecular formula C12H9ClN2O3 and molecular weight 264.03018 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-3-nitro-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one
Also Known As: 7-chloro-6-nitro-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one, 4-chloro-3-nitro-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one, 1-chloro-2-nitro-3-oxo-6,7-dihydro-3H,5H-benzo[ij]quinolizine, 1H,5H-Benzo[ij]quinolizin-5-one, 7-chloro-2,3-dihydro-6-nitro-, 1-chloro-2-nitro-6,7-dihydropyrido[3,2,1-ij]quinolin-3(5H)-one
| Molecular Formula | C12H9ClN2O3 |
| Molecular Weight | 264.03018 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 264.03018 Da |
| Heavy Atoms | 18 |
| Complexity | 443.0 |
| SMILES | C1CC2=C3C(=CC=C2)C(=C(C(=O)N3C1)[N+](=O)[O-])Cl |
| InChIKey | XYMWRJGCVUPHAG-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-chloro-6-nitro-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-chloro-6-nitro-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one. Following Lipinski's Rule of Five, 7-chloro-6-nitro-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7-chloro-6-nitro-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one is 110254-65-4.
The molecular formula of 7-chloro-6-nitro-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one is C12H9ClN2O3.
The molecular weight of 7-chloro-6-nitro-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one is 264.03018 g/mol.
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