2-[[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]guanidine

C15H13N7O5 — CID 4625821

IUPAC2-[[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]guanidine
SMILESNC(N)=NN=C(c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)C(O)c1ccco1
InChIInChI=1S/C15H13N7O5/c16-15(17)21-20-11(13(23)10-2-1-5-27-10)12-14(24)19-9-6-7(22(25)26)3-4-8(9)18-12/h1-6,13,23H,(H,19,24)(H4,16,17,21)
InChIKeyGOKLMCLPXMCDON-UHFFFAOYSA-N
MW371.31 g/mol
LogP0.14
Rot. Bonds5

About 2-[[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]guanidine

2-[[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]guanidine (PubChem CID 4625821) has the molecular formula C15H13N7O5 and a molecular weight of 371.31 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]guanidine.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]guanidine
PubChem CID4625821
Molecular FormulaC15H13N7O5
Molecular Weight371.31 g/mol
Exact Mass371.10
IUPAC Name2-[[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]guanidine
SMILESNC(N)=NN=C(c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)C(O)c1ccco1
InChIInChI=1S/C15H13N7O5/c16-15(17)21-20-11(13(23)10-2-1-5-27-10)12-14(24)19-9-6-7(22(25)26)3-4-8(9)18-12/h1-6,13,23H,(H,19,24)(H4,16,17,21)
InChIKeyGOKLMCLPXMCDON-UHFFFAOYSA-N
XLogP0.14
TPSA199.02 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 2-[[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]guanidine?
The IUPAC name of 2-[[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]guanidine (CID 4625821) is 2-[[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]guanidine.
What is the SMILES notation for 2-[[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]guanidine?
The canonical SMILES for 2-[[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]guanidine is NC(N)=NN=C(c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)C(O)c1ccco1.
What is the InChIKey of 2-[[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]guanidine?
The InChIKey is GOKLMCLPXMCDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O5/c16-15(17)21-20-11(13(23)10-2-1-5-27-10)12-14(24)19-9-6-7(22(25)26)3-4-8(9)18-12/h1-6,13,23H,(H,19,24)(H4,16,17,21).
What are the key properties of 2-[[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]guanidine?
2-[[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]guanidine has a molecular weight of 371.31 g/mol, XLogP of 0.14, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]guanidine is sourced from PubChem (CID 4625821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).