TL;DR: 2-Nitroquinoline (CAS 18714-34-6) is a chemical compound with molecular formula C9H6N2O2 and molecular weight 174.04292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-nitroquinoline
Also Known As: 2-Nitroquinoline, Quinoline, nitro-, Quinoline, 2-nitro-, 2-nitroquinol, NITROQUINOLINE
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H6N2O2 |
| Molecular Weight | 174.04292 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 58.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.04292 Da |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
| SMILES | C1=CC=C2C(=C1)C=CC(=N2)[N+](=O)[O-] |
| InChIKey | UDAIGHZFMLGNDQ-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitroquinoline. With a topological polar surface area (TPSA) of 58.7 Ų, 2-Nitroquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Nitroquinoline has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Nitroquinoline is 18714-34-6.
The molecular formula of 2-Nitroquinoline is C9H6N2O2.
The molecular weight of 2-Nitroquinoline is 174.04292 g/mol.
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