TL;DR: 3-[(5-Nitroquinolin-8-yl)amino]propan-1-ol (CAS 151953-55-8) is a chemical compound with molecular formula C12H13N3O3 and molecular weight 247.09569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(5-nitroquinolin-8-yl)amino]propan-1-ol
Also Known As: 3-[(5-nitroquinolin-8-yl)amino]propan-1-ol, BAS 00805253, BIM-0006568.P001, 3-[(5-nitro-8-quinolyl)amino]propan-1-ol, 3-((5-nitroquinolin-8-yl)amino)propan-1-ol
| Molecular Formula | C12H13N3O3 |
| Molecular Weight | 247.09569 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 91.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.09569 Da |
| Heavy Atoms | 18 |
| Complexity | 282.0 |
| SMILES | C1=CC2=C(C=CC(=C2N=C1)NCCCO)[N+](=O)[O-] |
| InChIKey | QVOWPOOPTZMTDH-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(5-Nitroquinolin-8-yl)amino]propan-1-ol. The TPSA of 91.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(5-Nitroquinolin-8-yl)amino]propan-1-ol. Following Lipinski's Rule of Five, 3-[(5-Nitroquinolin-8-yl)amino]propan-1-ol has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-[(5-Nitroquinolin-8-yl)amino]propan-1-ol is 151953-55-8.
The molecular formula of 3-[(5-Nitroquinolin-8-yl)amino]propan-1-ol is C12H13N3O3.
The molecular weight of 3-[(5-Nitroquinolin-8-yl)amino]propan-1-ol is 247.09569 g/mol.
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