TL;DR: 3-Quinolinecarboxamide, 5,6,7,8-tetrahydro-2-((4-chlorophenyl)amino)- (CAS 117052-12-7) is a chemical compound with molecular formula C16H16ClN3O and molecular weight 301.09818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chloroanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide
Also Known As: 3-Quinolinecarboxamide, 5,6,7,8-tetrahydro-2-((4-chlorophenyl)amino)-, 2-((4-Chlorophenyl)amino)-5,6,7,8-tetrahydroquinoline-3-carboxamide, 5,6,7,8-Tetrahydro-2-((4-chlorophenyl)amino)-3-quinolinecarboxamide, 2-[(4-Chlorophenyl)amino]-5,6,7,8-tetrahydro-3-quinolinecarboxamide, 2-(4-chloroanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide
| Molecular Formula | C16H16ClN3O |
| Molecular Weight | 301.09818 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 68.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.09818 Da |
| Heavy Atoms | 21 |
| Complexity | 371.0 |
| SMILES | C1CCC2=NC(=C(C=C2C1)C(=O)N)NC3=CC=C(C=C3)Cl |
| InChIKey | JOTBSSWNXQARID-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 3-Quinolinecarboxamide, 5,6,7,8-tetrahydro-2-((4-chlorophenyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Quinolinecarboxamide, 5,6,7,8-tetrahydro-2-((4-chlorophenyl)amino)-. Following Lipinski's Rule of Five, 3-Quinolinecarboxamide, 5,6,7,8-tetrahydro-2-((4-chlorophenyl)amino)- has 2 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 3-Quinolinecarboxamide, 5,6,7,8-tetrahydro-2-((4-chlorophenyl)amino)- is 117052-12-7.
The molecular formula of 3-Quinolinecarboxamide, 5,6,7,8-tetrahydro-2-((4-chlorophenyl)amino)- is C16H16ClN3O.
The molecular weight of 3-Quinolinecarboxamide, 5,6,7,8-tetrahydro-2-((4-chlorophenyl)amino)- is 301.09818 g/mol.
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