TL;DR: (3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid (CAS 956523-14-1) is a chemical compound with molecular formula C14H14N2O4 and molecular weight 274.09537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
Also Known As: (3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid, 6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
| Molecular Formula | C14H14N2O4 |
| Molecular Weight | 274.09537 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.09537 Da |
| Heavy Atoms | 20 |
| Complexity | 459.0 |
| SMILES | CC1=C(C=CC2=C1NC(C3C2C=CC3)C(=O)O)[N+](=O)[O-] |
| InChIKey | KXGBLGQACSLGDU-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid. Following Lipinski's Rule of Five, (3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid 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 (3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid is 956523-14-1.
The molecular formula of (3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid is C14H14N2O4.
The molecular weight of (3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid is 274.09537 g/mol.
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