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

C15H12N6O6 — CID 135499165

IUPAC[(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]urea
SMILESNC(=O)N/N=C(/c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)C(O)c1ccco1
InChIInChI=1S/C15H12N6O6/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/h1-6,13,22H,(H,18,23)(H3,16,20,24)/b19-11-
InChIKeyYDIMTPKQHUYZDL-ODLFYWEKSA-N
MW372.30 g/mol
LogP0.53
Rot. Bonds5

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

[(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]urea (PubChem CID 135499165) has the molecular formula C15H12N6O6 and a molecular weight of 372.30 g/mol. Its IUPAC name is [(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]urea.

Molecular Properties

Compound Name[(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]urea
PubChem CID135499165
Molecular FormulaC15H12N6O6
Molecular Weight372.30 g/mol
Exact Mass372.08
IUPAC Name[(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]urea
SMILESNC(=O)N/N=C(/c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)C(O)c1ccco1
InChIInChI=1S/C15H12N6O6/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/h1-6,13,22H,(H,18,23)(H3,16,20,24)/b19-11-
InChIKeyYDIMTPKQHUYZDL-ODLFYWEKSA-N
XLogP0.53
TPSA189.74 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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 [(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]urea?
The IUPAC name of [(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]urea (CID 135499165) is [(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]urea.
What is the SMILES notation for [(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]urea?
The canonical SMILES for [(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]urea is NC(=O)N/N=C(/c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)C(O)c1ccco1.
What is the InChIKey of [(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]urea?
The InChIKey is YDIMTPKQHUYZDL-ODLFYWEKSA-N. The full InChI is InChI=1S/C15H12N6O6/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/h1-6,13,22H,(H,18,23)(H3,16,20,24)/b19-11-.
What are the key properties of [(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]urea?
[(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]urea has a molecular weight of 372.30 g/mol, XLogP of 0.53, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[2-(furan-2-yl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]urea is sourced from PubChem (CID 135499165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).