2-[(Z)-N-(carbamoylamino)-C-[furan-2-yl(hydroxy)methyl]carbonimidoyl]-N-hydroxy-3-oxo-4H-quinoxalin-6-amine oxide

C15H14N6O6 — CID 135801148

About 2-[(Z)-N-(carbamoylamino)-C-[furan-2-yl(hydroxy)methyl]carbonimidoyl]-N-hydroxy-3-oxo-4H-quinoxalin-6-amine oxide

2-[(Z)-N-(carbamoylamino)-C-[furan-2-yl(hydroxy)methyl]carbonimidoyl]-N-hydroxy-3-oxo-4H-quinoxalin-6-amine oxide (PubChem CID 135801148) has the molecular formula C15H14N6O6 and a molecular weight of 374.31 g/mol. Its IUPAC name is 2-[(Z)-N-(carbamoylamino)-C-[furan-2-yl(hydroxy)methyl]carbonimidoyl]-N-hydroxy-3-oxo-4H-quinoxalin-6-amine oxide.

Molecular Properties

• Compound Name: 2-[(Z)-N-(carbamoylamino)-C-[furan-2-yl(hydroxy)methyl]carbonimidoyl]-N-hydroxy-3-oxo-4H-quinoxalin-6-amine oxide
• PubChem CID: 135801148
• Molecular Formula: C15H14N6O6
• Molecular Weight: 374.31 g/mol
• Exact Mass: 374.10
• IUPAC Name: 2-[(Z)-N-(carbamoylamino)-C-[furan-2-yl(hydroxy)methyl]carbonimidoyl]-N-hydroxy-3-oxo-4H-quinoxalin-6-amine oxide
• SMILES: NC(=O)N/N=C(/c1nc2ccc([NH+]([O-])O)cc2[nH]c1=O)C(O)c1ccco1
• InChI: InChI=1S/C15H14N6O6/c16-15(24)20-19-11(13(22)10-2-1-5-27-10)12-14(23)18-9-6-7(21(25)26)3-4-8(9)17-12/h1-6,13,21-22,25H,(H,18,23)(H3,16,20,24)/b19-11-
• InChIKey: PUVSEPZXFPBJGD-ODLFYWEKSA-N
• XLogP: -0.97
• TPSA: 194.33 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	374.31
LogP ≤ 5	-0.97
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-N-(carbamoylamino)-C-[furan-2-yl(hydroxy)methyl]carbonimidoyl]-N-hydroxy-3-oxo-4H-quinoxalin-6-amine oxide?

The IUPAC name of 2-[(Z)-N-(carbamoylamino)-C-[furan-2-yl(hydroxy)methyl]carbonimidoyl]-N-hydroxy-3-oxo-4H-quinoxalin-6-amine oxide (CID 135801148) is 2-[(Z)-N-(carbamoylamino)-C-[furan-2-yl(hydroxy)methyl]carbonimidoyl]-N-hydroxy-3-oxo-4H-quinoxalin-6-amine oxide.

What is the SMILES notation for 2-[(Z)-N-(carbamoylamino)-C-[furan-2-yl(hydroxy)methyl]carbonimidoyl]-N-hydroxy-3-oxo-4H-quinoxalin-6-amine oxide?

The canonical SMILES for 2-[(Z)-N-(carbamoylamino)-C-[furan-2-yl(hydroxy)methyl]carbonimidoyl]-N-hydroxy-3-oxo-4H-quinoxalin-6-amine oxide is NC(=O)N/N=C(/c1nc2ccc([NH+]([O-])O)cc2[nH]c1=O)C(O)c1ccco1.

What is the InChIKey of 2-[(Z)-N-(carbamoylamino)-C-[furan-2-yl(hydroxy)methyl]carbonimidoyl]-N-hydroxy-3-oxo-4H-quinoxalin-6-amine oxide?

The InChIKey is PUVSEPZXFPBJGD-ODLFYWEKSA-N. The full InChI is InChI=1S/C15H14N6O6/c16-15(24)20-19-11(13(22)10-2-1-5-27-10)12-14(23)18-9-6-7(21(25)26)3-4-8(9)17-12/h1-6,13,21-22,25H,(H,18,23)(H3,16,20,24)/b19-11-.

What are the key properties of 2-[(Z)-N-(carbamoylamino)-C-[furan-2-yl(hydroxy)methyl]carbonimidoyl]-N-hydroxy-3-oxo-4H-quinoxalin-6-amine oxide?

2-[(Z)-N-(carbamoylamino)-C-[furan-2-yl(hydroxy)methyl]carbonimidoyl]-N-hydroxy-3-oxo-4H-quinoxalin-6-amine oxide has a molecular weight of 374.31 g/mol, XLogP of -0.97, 5 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-N-(carbamoylamino)-C-[furan-2-yl(hydroxy)methyl]carbonimidoyl]-N-hydroxy-3-oxo-4H-quinoxalin-6-amine oxide is sourced from PubChem (CID 135801148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).