About N-[(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]-2-phenylacetamide
N-[(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]-2-phenylacetamide (PubChem CID 135499159) has the molecular formula C22H17N5O6
and a molecular weight of 447.41 g/mol. Its IUPAC name is N-[(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]-2-phenylacetamide.
Molecular Properties
| Compound Name | N-[(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]-2-phenylacetamide |
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| PubChem CID | 135499159 |
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| Molecular Formula | C22H17N5O6 |
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| Molecular Weight | 447.41 g/mol |
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| Exact Mass | 447.12 |
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| IUPAC Name | N-[(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]-2-phenylacetamide |
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| SMILES | O=C(Cc1ccccc1)N/N=C(/c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)C(O)c1ccco1 |
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| InChI | InChI=1S/C22H17N5O6/c28-18(11-13-5-2-1-3-6-13)25-26-19(21(29)17-7-4-10-33-17)20-22(30)24-16-12-14(27(31)32)8-9-15(16)23-20/h1-10,12,21,29H,11H2,(H,24,30)(H,25,28)/b26-19- |
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| InChIKey | CHTOQGYSOSVQCR-XHPQRKPJSA-N |
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| XLogP | 2.22 |
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| TPSA | 163.72 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 447.41 |
| LogP ≤ 5 | 2.22 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]-2-phenylacetamide?
The IUPAC name of N-[(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]-2-phenylacetamide (CID 135499159) is N-[(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]-2-phenylacetamide.
What is the SMILES notation for N-[(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]-2-phenylacetamide?
The canonical SMILES for N-[(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]-2-phenylacetamide is O=C(Cc1ccccc1)N/N=C(/c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)C(O)c1ccco1.
What is the InChIKey of N-[(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]-2-phenylacetamide?
The InChIKey is CHTOQGYSOSVQCR-XHPQRKPJSA-N. The full InChI is InChI=1S/C22H17N5O6/c28-18(11-13-5-2-1-3-6-13)25-26-19(21(29)17-7-4-10-33-17)20-22(30)24-16-12-14(27(31)32)8-9-15(16)23-20/h1-10,12,21,29H,11H2,(H,24,30)(H,25,28)/b26-19-.
What are the key properties of N-[(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]-2-phenylacetamide?
N-[(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]-2-phenylacetamide has a molecular weight of 447.41 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]-2-phenylacetamide is sourced from PubChem (CID 135499159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).