TL;DR: 2-amino-N-hexyl-1-(3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide (CAS 799803-12-6) is a chemical compound with molecular formula C24H27N5O and molecular weight 401.22156 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-N-hexyl-1-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
Also Known As: 2-amino-N-hexyl-1-(3-methylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide, 2-amino-N-hexyl-1-(m-tolyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 2-amino-N-hexyl-1-(3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
| Molecular Formula | C24H27N5O |
| Molecular Weight | 401.22156 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 85.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.22156 Da |
| Heavy Atoms | 30 |
| Complexity | 572.0 |
| SMILES | CCCCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=CC(=C4)C)N |
| InChIKey | MWTHZNDUYPZQOW-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that 2-amino-N-hexyl-1-(3-methylphenyl)-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-N-hexyl-1-(3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide. Following Lipinski's Rule of Five, 2-amino-N-hexyl-1-(3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-amino-N-hexyl-1-(3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide is 799803-12-6.
The molecular formula of 2-amino-N-hexyl-1-(3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide is C24H27N5O.
The molecular weight of 2-amino-N-hexyl-1-(3-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide is 401.22156 g/mol.
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