TL;DR: (S)-methyl 2-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)propanoate (CAS 1173678-33-5) is a chemical compound with molecular formula C17H18N2O6 and molecular weight 346.1165 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]propanoate
Also Known As: (S)-methyl 2-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)propanoate, methyl (2S)-2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]propanoate, methyl N-[(5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinolin-7-yl)carbonyl]-L-alaninate
| Molecular Formula | C17H18N2O6 |
| Molecular Weight | 346.1165 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 94.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.1165 Da |
| Heavy Atoms | 25 |
| Complexity | 604.0 |
| SMILES | CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)N[C@@H](C)C(=O)OC |
| InChIKey | MTLRHAYHQZECPG-VIFPVBQESA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 2-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)propanoate. The TPSA of 94.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 2-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)propanoate. Following Lipinski's Rule of Five, (S)-methyl 2-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)propanoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (S)-methyl 2-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)propanoate is 1173678-33-5.
The molecular formula of (S)-methyl 2-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)propanoate is C17H18N2O6.
The molecular weight of (S)-methyl 2-(5-ethyl-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamido)propanoate is 346.1165 g/mol.
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