3-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-quinoxalin-2-one

C15H11N5O3 — CID 135778352

IUPAC3-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1/C=N\Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N5O3/c21-15-14(17-12-3-1-2-4-13(12)18-15)9-16-19-10-5-7-11(8-6-10)20(22)23/h1-9,19H,(H,18,21)/b16-9-
InChIKeyMDMDNBQWQMITQE-SXGWCWSVSA-N
MW309.29 g/mol
LogP2.28
Rot. Bonds4

About 3-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-quinoxalin-2-one

3-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-quinoxalin-2-one (PubChem CID 135778352) has the molecular formula C15H11N5O3 and a molecular weight of 309.29 g/mol. Its IUPAC name is 3-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-quinoxalin-2-one
PubChem CID135778352
Molecular FormulaC15H11N5O3
Molecular Weight309.29 g/mol
Exact Mass309.09
IUPAC Name3-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1/C=N\Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N5O3/c21-15-14(17-12-3-1-2-4-13(12)18-15)9-16-19-10-5-7-11(8-6-10)20(22)23/h1-9,19H,(H,18,21)/b16-9-
InChIKeyMDMDNBQWQMITQE-SXGWCWSVSA-N
XLogP2.28
TPSA113.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze 3-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(phenylhydrazinylidene)methyl]-1H-quinoxalin-2-one
CID 137201303
3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one
CID 137037919
3-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 171979348
3-[(2Z)-2-[(2-hydroxy-6-nitronaphthalen-1-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 136719030
N-[(E)-benzylideneamino]-4-nitroaniline
CID 6436771
2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135697078
N-[(E)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-1H-benzimidazol-2-amine
CID 21370288
2-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-bromo-4-nitrophenolate
CID 7460190
N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 6031272
N-(naphthalen-2-ylmethylideneamino)-4-nitroaniline
CID 4505951
3-[(E)-2-(4-hydroxy-3-nitrophenyl)ethenyl]-1H-quinoxalin-2-one
CID 135725609
3-[(Z)-2-hydroxy-2-phenylethenyl]-7-nitro-1H-quinoxalin-2-one
CID 135493783

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-quinoxalin-2-one (CID 135778352) is 3-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1/C=N\Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-quinoxalin-2-one?
The InChIKey is MDMDNBQWQMITQE-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H11N5O3/c21-15-14(17-12-3-1-2-4-13(12)18-15)9-16-19-10-5-7-11(8-6-10)20(22)23/h1-9,19H,(H,18,21)/b16-9-.
What are the key properties of 3-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-quinoxalin-2-one?
3-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-quinoxalin-2-one has a molecular weight of 309.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 135778352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).