TL;DR: [(1-Cyanocyclopentyl)carbamoyl]methyl 2-methylquinoline-4-carboxylate (CAS 1209125-69-8) is a chemical compound with molecular formula C19H19N3O3 and molecular weight 337.14264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
Also Known As: [(1-cyanocyclopentyl)carbamoyl]methyl 2-methylquinoline-4-carboxylate|[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate|EN300-26687222|Z16536804
| Molecular Formula | C19H19N3O3 |
| Molecular Weight | 337.14264 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 92.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.14264 Da |
| Heavy Atoms | 25 |
| Complexity | 562.0 |
| SMILES | CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)NC3(CCCC3)C#N |
| InChIKey | DFJZKHYBGXIRJF-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-Cyanocyclopentyl)carbamoyl]methyl 2-methylquinoline-4-carboxylate. The TPSA of 92.1 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclopentyl)carbamoyl]methyl 2-methylquinoline-4-carboxylate. Following Lipinski's Rule of Five, [(1-Cyanocyclopentyl)carbamoyl]methyl 2-methylquinoline-4-carboxylate has 1 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 [(1-Cyanocyclopentyl)carbamoyl]methyl 2-methylquinoline-4-carboxylate is 1209125-69-8.
The molecular formula of [(1-Cyanocyclopentyl)carbamoyl]methyl 2-methylquinoline-4-carboxylate is C19H19N3O3.
The molecular weight of [(1-Cyanocyclopentyl)carbamoyl]methyl 2-methylquinoline-4-carboxylate is 337.14264 g/mol.
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