3-[1-(2,2-dimethylhydrazinyl)-2-(furan-2-yl)-2-hydroxyethylidene]-7-nitro-4H-quinoxalin-2-olate

C16H16N5O5- — CID 135801154

IUPAC3-[1-(2,2-dimethylhydrazinyl)-2-(furan-2-yl)-2-hydroxyethylidene]-7-nitro-4H-quinoxalin-2-olate
SMILESCN(C)NC(=C1Nc2ccc([N+](=O)[O-])cc2N=C1[O-])C(O)c1ccco1
InChIInChI=1S/C16H17N5O5/c1-20(2)19-13(15(22)12-4-3-7-26-12)14-16(23)18-11-8-9(21(24)25)5-6-10(11)17-14/h3-8,15,17,19,22H,1-2H3,(H,18,23)/p-1
InChIKeyNHRWJTMTINGAQP-UHFFFAOYSA-M
MW358.33 g/mol
LogP1.01
Rot. Bonds5

About 3-[1-(2,2-dimethylhydrazinyl)-2-(furan-2-yl)-2-hydroxyethylidene]-7-nitro-4H-quinoxalin-2-olate

3-[1-(2,2-dimethylhydrazinyl)-2-(furan-2-yl)-2-hydroxyethylidene]-7-nitro-4H-quinoxalin-2-olate (PubChem CID 135801154) has the molecular formula C16H16N5O5- and a molecular weight of 358.33 g/mol. Its IUPAC name is 3-[1-(2,2-dimethylhydrazinyl)-2-(furan-2-yl)-2-hydroxyethylidene]-7-nitro-4H-quinoxalin-2-olate.

Molecular Properties

Compound Name3-[1-(2,2-dimethylhydrazinyl)-2-(furan-2-yl)-2-hydroxyethylidene]-7-nitro-4H-quinoxalin-2-olate
PubChem CID135801154
Molecular FormulaC16H16N5O5-
Molecular Weight358.33 g/mol
Exact Mass358.12
IUPAC Name3-[1-(2,2-dimethylhydrazinyl)-2-(furan-2-yl)-2-hydroxyethylidene]-7-nitro-4H-quinoxalin-2-olate
SMILESCN(C)NC(=C1Nc2ccc([N+](=O)[O-])cc2N=C1[O-])C(O)c1ccco1
InChIInChI=1S/C16H17N5O5/c1-20(2)19-13(15(22)12-4-3-7-26-12)14-16(23)18-11-8-9(21(24)25)5-6-10(11)17-14/h3-8,15,17,19,22H,1-2H3,(H,18,23)/p-1
InChIKeyNHRWJTMTINGAQP-UHFFFAOYSA-M
XLogP1.01
TPSA139.23 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-[1-(2,2-dimethylhydrazinyl)-2-(furan-2-yl)-2-hydroxyethylidene]-7-nitro-4H-quinoxalin-2-olate with MolForge

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Related Compounds

2-(furan-2-yl)-2-hydroxy-1-(7-nitro-3-oxo-1,4-dihydroquinoxalin-2-ylidene)ethanolate
CID 135720694
1-(furan-2-yl)-2-[(3-nitrophenyl)methylamino]ethanol
CID 60760616
(1S,2R)-1-(furan-2-yl)-2-nitropropan-1-ol
CID 44604534
2-(dimethylamino)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-nitrobenzamide
CID 7826091
N-[1-(furan-2-yl)ethyl]-2-(methylamino)-5-nitrobenzamide
CID 18116900
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxy-5-nitrobenzamide
CID 51219587
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-nitrophenyl)ethanol
CID 115345080
3-(furan-2-yl)-5-nitro-1H-indazole
CID 76847948
N-[(1S)-1-(furan-2-yl)ethyl]-1-(4-nitrophenyl)ethanamine
CID 81403263
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methyl-5-nitrophenyl)urea
CID 110890326
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)urea
CID 134062767
1-(furan-2-yl)-2-methyl-2-[(3-nitrophenyl)methylamino]propan-1-ol
CID 117068804

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2-dimethylhydrazinyl)-2-(furan-2-yl)-2-hydroxyethylidene]-7-nitro-4H-quinoxalin-2-olate?
The IUPAC name of 3-[1-(2,2-dimethylhydrazinyl)-2-(furan-2-yl)-2-hydroxyethylidene]-7-nitro-4H-quinoxalin-2-olate (CID 135801154) is 3-[1-(2,2-dimethylhydrazinyl)-2-(furan-2-yl)-2-hydroxyethylidene]-7-nitro-4H-quinoxalin-2-olate.
What is the SMILES notation for 3-[1-(2,2-dimethylhydrazinyl)-2-(furan-2-yl)-2-hydroxyethylidene]-7-nitro-4H-quinoxalin-2-olate?
The canonical SMILES for 3-[1-(2,2-dimethylhydrazinyl)-2-(furan-2-yl)-2-hydroxyethylidene]-7-nitro-4H-quinoxalin-2-olate is CN(C)NC(=C1Nc2ccc([N+](=O)[O-])cc2N=C1[O-])C(O)c1ccco1.
What is the InChIKey of 3-[1-(2,2-dimethylhydrazinyl)-2-(furan-2-yl)-2-hydroxyethylidene]-7-nitro-4H-quinoxalin-2-olate?
The InChIKey is NHRWJTMTINGAQP-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H17N5O5/c1-20(2)19-13(15(22)12-4-3-7-26-12)14-16(23)18-11-8-9(21(24)25)5-6-10(11)17-14/h3-8,15,17,19,22H,1-2H3,(H,18,23)/p-1.
What are the key properties of 3-[1-(2,2-dimethylhydrazinyl)-2-(furan-2-yl)-2-hydroxyethylidene]-7-nitro-4H-quinoxalin-2-olate?
3-[1-(2,2-dimethylhydrazinyl)-2-(furan-2-yl)-2-hydroxyethylidene]-7-nitro-4H-quinoxalin-2-olate has a molecular weight of 358.33 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2-dimethylhydrazinyl)-2-(furan-2-yl)-2-hydroxyethylidene]-7-nitro-4H-quinoxalin-2-olate is sourced from PubChem (CID 135801154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).