TL;DR: 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-prop-2-enyl-quinoline-3-carboxamide (CAS 368837-64-3) is a chemical compound with molecular formula C20H25FN4O2 and molecular weight 372.19617 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-prop-2-enylquinoline-3-carboxamide
Also Known As: 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-prop-2-enyl-quinoline-3-carboxamide, 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-prop-2-enylquinoline-3-carboxamide, 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide, N-allyl-1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
| Molecular Formula | C20H25FN4O2 |
| Molecular Weight | 372.19617 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 55.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.19617 Da |
| Heavy Atoms | 27 |
| Complexity | 615.0 |
| SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)NCC=C |
| InChIKey | LNQPHKPXZXCJPM-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-prop-2-enyl-quinoline-3-carboxamide. With a topological polar surface area (TPSA) of 55.9 Ų, 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-prop-2-enyl-quinoline-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-prop-2-enyl-quinoline-3-carboxamide 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 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-prop-2-enyl-quinoline-3-carboxamide is 368837-64-3.
The molecular formula of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-prop-2-enyl-quinoline-3-carboxamide is C20H25FN4O2.
The molecular weight of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-prop-2-enyl-quinoline-3-carboxamide is 372.19617 g/mol.
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