TL;DR: 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-10-(3-((ethylamino)methyl)-1-pyrrolidinyl)-9-fluoro-3-methyl-7-oxo- (CAS 115550-39-5) is a chemical compound with molecular formula C19H23FN4O4 and molecular weight 390.17032 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[3-(ethylaminomethyl)pyrrolidin-1-yl]-7-fluoro-2-methyl-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Also Known As: 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-10-(3-((ethylamino)methyl)-1-pyrrolidinyl)-9-fluoro-3-methyl-7-oxo-, 10-{3-[(Ethylamino)methyl]pyrrolidin-1-yl}-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,3,4]oxadiazino[6,5,4-ij]quinoline-6-carboxylic acid
| Molecular Formula | C19H23FN4O4 |
| Molecular Weight | 390.17032 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 85.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.17032 Da |
| Heavy Atoms | 28 |
| Complexity | 674.0 |
| SMILES | CCNCC1CCN(C1)C2=C(C=C3C4=C2OCN(N4C=C(C3=O)C(=O)O)C)F |
| InChIKey | GDQZPZAMAPZION-UHFFFAOYSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-10-(3-((ethylamino)methyl)-1-pyrrolidinyl)-9-fluoro-3-methyl-7-oxo-. The TPSA of 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-10-(3-((ethylamino)methyl)-1-pyrrolidinyl)-9-fluoro-3-methyl-7-oxo-. Following Lipinski's Rule of Five, 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-10-(3-((ethylamino)methyl)-1-pyrrolidinyl)-9-fluoro-3-methyl-7-oxo- has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-10-(3-((ethylamino)methyl)-1-pyrrolidinyl)-9-fluoro-3-methyl-7-oxo- is 115550-39-5.
The molecular formula of 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-10-(3-((ethylamino)methyl)-1-pyrrolidinyl)-9-fluoro-3-methyl-7-oxo- is C19H23FN4O4.
The molecular weight of 7H-Pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-10-(3-((ethylamino)methyl)-1-pyrrolidinyl)-9-fluoro-3-methyl-7-oxo- is 390.17032 g/mol.
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