TL;DR: 2-amino-1-hexyl-N-(2-methylpropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide (CAS 578759-67-8) is a chemical compound with molecular formula C21H29N5O and molecular weight 367.2372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-1-hexyl-N-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
Also Known As: 2-amino-1-hexyl-N-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide, 2-amino-1-hexyl-N-isobutyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 2-amino-1-hexyl-N-(2-methylpropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
| Molecular Formula | C21H29N5O |
| Molecular Weight | 367.2372 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 85.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 367.2372 Da |
| Heavy Atoms | 27 |
| Complexity | 485.0 |
| SMILES | CCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC(C)C)N |
| InChIKey | SXWQBZIFGOVUIT-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 2-amino-1-hexyl-N-(2-methylpropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-1-hexyl-N-(2-methylpropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide. Following Lipinski's Rule of Five, 2-amino-1-hexyl-N-(2-methylpropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-amino-1-hexyl-N-(2-methylpropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide is 578759-67-8.
The molecular formula of 2-amino-1-hexyl-N-(2-methylpropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide is C21H29N5O.
The molecular weight of 2-amino-1-hexyl-N-(2-methylpropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide is 367.2372 g/mol.
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