TL;DR: 1-Nonyl-2,4-dioxo-1,2,3,4-tetrahydroquinoline-3-carboxylic acid (CAS 161804-15-5) is a chemical compound with molecular formula C19H25NO4 and molecular weight 331.17834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-nonyl-2,4-dioxoquinoline-3-carboxylic acid
Also Known As: 1-nonyl-2,4-dioxoquinoline-3-carboxylic acid, 1-Nonyl-2,4(1H,3H)-dioxo-3-quinolinecarboxylic acid, 1-nonyl-2,4-dioxo-1,2,3,4-tetrahydroquinoline-3-carboxylic acid, 1-Nonyl-2,4-dioxo-1,2,3,4-tetrahydro-3-quinolinecarboxylic acid, 1-Nonyl-2,4-dioxo-1,2,3,4-tetrahydro-3-quinolinecarboxylic acid #
| Molecular Formula | C19H25NO4 |
| Molecular Weight | 331.17834 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 331.17834 Da |
| Heavy Atoms | 24 |
| Complexity | 462.0 |
| SMILES | CCCCCCCCCN1C2=CC=CC=C2C(=O)C(C1=O)C(=O)O |
| InChIKey | VTKDECVYZKWGEX-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that 1-Nonyl-2,4-dioxo-1,2,3,4-tetrahydroquinoline-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nonyl-2,4-dioxo-1,2,3,4-tetrahydroquinoline-3-carboxylic acid. Following Lipinski's Rule of Five, 1-Nonyl-2,4-dioxo-1,2,3,4-tetrahydroquinoline-3-carboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-Nonyl-2,4-dioxo-1,2,3,4-tetrahydroquinoline-3-carboxylic acid is 161804-15-5.
The molecular formula of 1-Nonyl-2,4-dioxo-1,2,3,4-tetrahydroquinoline-3-carboxylic acid is C19H25NO4.
The molecular weight of 1-Nonyl-2,4-dioxo-1,2,3,4-tetrahydroquinoline-3-carboxylic acid is 331.17834 g/mol.
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