TL;DR: (E)-2-amino-N-cyclopentyl-1-((3-nitrobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide (CAS 578749-35-6) is a chemical compound with molecular formula C23H21N7O3 and molecular weight 443.1706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-N-cyclopentyl-1-[(E)-(3-nitrophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide
Also Known As: (E)-2-amino-N-cyclopentyl-1-((3-nitrobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, 2-amino-N-cyclopentyl-1-[(E)-(3-nitrophenyl)methylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide, 2-amino-N-cyclopentyl-1-{[(E)-(3-nitrophenyl)methylidene]amino}-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
| Molecular Formula | C23H21N7O3 |
| Molecular Weight | 443.1706 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.1706 Da |
| Heavy Atoms | 33 |
| Complexity | 753.0 |
| SMILES | C1CCC(C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)/N=C/C5=CC(=CC=C5)[N+](=O)[O-])N |
| InChIKey | VFUQIYKEAGPVBL-DHRITJCHSA-N |
The XLogP value of 3.7 indicates that (E)-2-amino-N-cyclopentyl-1-((3-nitrobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting (E)-2-amino-N-cyclopentyl-1-((3-nitrobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-2-amino-N-cyclopentyl-1-((3-nitrobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-2-amino-N-cyclopentyl-1-((3-nitrobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide is 578749-35-6.
The molecular formula of (E)-2-amino-N-cyclopentyl-1-((3-nitrobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide is C23H21N7O3.
The molecular weight of (E)-2-amino-N-cyclopentyl-1-((3-nitrobenzylidene)amino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide is 443.1706 g/mol.
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