TL;DR: 3-Quinolinecarboxylic acid, 1,4-dihydro-5-amino-1-cyclopropyl-6,8-difluoro-7-(3-methyl-3-((methylamino)methyl)-1-pyrrolidinyl)-4-oxo- (CAS 146981-03-5) is a chemical compound with molecular formula C20H24F2N4O3 and molecular weight 406.18164 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-1-cyclopropyl-6,8-difluoro-7-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
Also Known As: 3-Quinolinecarboxylic acid, 1,4-dihydro-5-amino-1-cyclopropyl-6,8-difluoro-7-(3-methyl-3-((methylamino)methyl)-1-pyrrolidinyl)-4-oxo-, 5-Amino-1-cyclopro pyl-6,8-difluoro-1,4-dihydro-7-(3-methyl-3-((methylamino)methyl)-1-pyrrolidinyl)-4-oxo-3-quinolinecarboxylic acid, 3-Quinolinecarboxylic acid, 5-amino-1-cyclopropyl-6,8-difluoro-1,4-dihydro-7-(3-methyl-3-((methylamino)methyl)-1-pyrrolidinyl)-4-oxo-, 5-Amino-1-cyclopropyl-6,8-difluoro-7-{3-methyl-3-[(methylamino)methyl]pyrrolidin-1-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1-Cyclopropyl-1,4-dihydro-5-amino-6,8-difluoro-7-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
| Molecular Formula | C20H24F2N4O3 |
| Molecular Weight | 406.18164 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 98.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.18164 Da |
| Heavy Atoms | 29 |
| Complexity | 731.0 |
| SMILES | CC1(CCN(C1)C2=C(C(=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)N)F)CNC |
| InChIKey | DQIZUOJDMDWNBJ-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Quinolinecarboxylic acid, 1,4-dihydro-5-amino-1-cyclopropyl-6,8-difluoro-7-(3-methyl-3-((methylamino)methyl)-1-pyrrolidinyl)-4-oxo-. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Quinolinecarboxylic acid, 1,4-dihydro-5-amino-1-cyclopropyl-6,8-difluoro-7-(3-methyl-3-((methylamino)methyl)-1-pyrrolidinyl)-4-oxo-. Following Lipinski's Rule of Five, 3-Quinolinecarboxylic acid, 1,4-dihydro-5-amino-1-cyclopropyl-6,8-difluoro-7-(3-methyl-3-((methylamino)methyl)-1-pyrrolidinyl)-4-oxo- has 3 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-5-amino-1-cyclopropyl-6,8-difluoro-7-(3-methyl-3-((methylamino)methyl)-1-pyrrolidinyl)-4-oxo- is 146981-03-5.
The molecular formula of 3-Quinolinecarboxylic acid, 1,4-dihydro-5-amino-1-cyclopropyl-6,8-difluoro-7-(3-methyl-3-((methylamino)methyl)-1-pyrrolidinyl)-4-oxo- is C20H24F2N4O3.
The molecular weight of 3-Quinolinecarboxylic acid, 1,4-dihydro-5-amino-1-cyclopropyl-6,8-difluoro-7-(3-methyl-3-((methylamino)methyl)-1-pyrrolidinyl)-4-oxo- is 406.18164 g/mol.
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