TL;DR: 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-7-(2-((methylamino)methyl)-4-morpholinyl)-4-oxo- (CAS 122910-81-0) is a chemical compound with molecular formula C19H21F2N3O4 and molecular weight 393.15002 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-cyclopropyl-6,8-difluoro-7-[2-(methylaminomethyl)morpholin-4-yl]-4-oxoquinoline-3-carboxylic acid
Also Known As: 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-7-(2-((methylamino)methyl)-4-morpholinyl)-4-oxo-, 1-cyclopropyl-6,8-difluoro-1,4-dihydro-7-[2-(methylaminomethyl)-morpholino]-4-oxoquinoline-3-carboxylic acid, 1-cyclopropyl-6,8-difluoro-7-[2-(methylaminomethyl)morpholin-4-yl]-4-oxoquinoline-3-carboxylic acid, 1-Cyclopropyl-6,8-difluoro-7-{2-[(methylamino)methyl]morpholin-4-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
| Molecular Formula | C19H21F2N3O4 |
| Molecular Weight | 393.15002 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 82.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.15002 Da |
| Heavy Atoms | 28 |
| Complexity | 672.0 |
| SMILES | CNCC1CN(CCO1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F |
| InChIKey | NTBFOBUDTNNTGO-UHFFFAOYSA-N |
The XLogP value of -1.1 indicates that 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-7-(2-((methylamino)methyl)-4-morpholinyl)-4-oxo- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-7-(2-((methylamino)methyl)-4-morpholinyl)-4-oxo-. Following Lipinski's Rule of Five, 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-7-(2-((methylamino)methyl)-4-morpholinyl)-4-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 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-7-(2-((methylamino)methyl)-4-morpholinyl)-4-oxo- is 122910-81-0.
The molecular formula of 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-7-(2-((methylamino)methyl)-4-morpholinyl)-4-oxo- is C19H21F2N3O4.
The molecular weight of 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-7-(2-((methylamino)methyl)-4-morpholinyl)-4-oxo- is 393.15002 g/mol.
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