TL;DR: 6-(4-Fluoroanilino)-2,3-dimethylquinoxaline-5,8-dione (CAS 14370-81-1) is a chemical compound with molecular formula C16H12FN3O2 and molecular weight 297.09137 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(4-fluoroanilino)-2,3-dimethylquinoxaline-5,8-dione
Also Known As: 5, 6-(p-fluoroanilino)-2,3-dimethyl-, 6-((4-Fluorophenyl)amino)-2,3-dimethylquinoxaline-5,8-dione, 6-(4-fluoroanilino)-2,3-dimethylquinoxaline-5,8-dione, 5,8-Quinoxalinedione, 6-(p-fluoroanilino)-2,3-dimethyl-, 5,8-Quinoxalinedione,6-[(4-fluorophenyl)amino]-2,3-dimethyl-
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H12FN3O2 |
| Molecular Weight | 297.09137 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.09137 Da |
| Heavy Atoms | 22 |
| Complexity | 500.0 |
| SMILES | CC1=C(N=C2C(=N1)C(=O)C=C(C2=O)NC3=CC=C(C=C3)F)C |
| InChIKey | VEJKBMCMNIDKNN-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-Fluoroanilino)-2,3-dimethylquinoxaline-5,8-dione. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-Fluoroanilino)-2,3-dimethylquinoxaline-5,8-dione. Following Lipinski's Rule of Five, 6-(4-Fluoroanilino)-2,3-dimethylquinoxaline-5,8-dione has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-(4-Fluoroanilino)-2,3-dimethylquinoxaline-5,8-dione is 14370-81-1.
The molecular formula of 6-(4-Fluoroanilino)-2,3-dimethylquinoxaline-5,8-dione is C16H12FN3O2.
The molecular weight of 6-(4-Fluoroanilino)-2,3-dimethylquinoxaline-5,8-dione is 297.09137 g/mol.
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