(2Z)-2-(3-oxo-4H-quinoxalin-2-yl)-2-(phenylhydrazinylidene)acetaldehyde

C16H12N4O2 — CID 135548597

IUPAC(2Z)-2-(3-oxo-4H-quinoxalin-2-yl)-2-(phenylhydrazinylidene)acetaldehyde
SMILESO=C/C(=N\Nc1ccccc1)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C16H12N4O2/c21-10-14(20-19-11-6-2-1-3-7-11)15-16(22)18-13-9-5-4-8-12(13)17-15/h1-10,19H,(H,18,22)/b20-14+
InChIKeyAGOCENCHHQWRRS-XSFVSMFZSA-N
MW292.30 g/mol
LogP1.94
Rot. Bonds4

About (2Z)-2-(3-oxo-4H-quinoxalin-2-yl)-2-(phenylhydrazinylidene)acetaldehyde

(2Z)-2-(3-oxo-4H-quinoxalin-2-yl)-2-(phenylhydrazinylidene)acetaldehyde (PubChem CID 135548597) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is (2Z)-2-(3-oxo-4H-quinoxalin-2-yl)-2-(phenylhydrazinylidene)acetaldehyde.

Molecular Properties

Compound Name(2Z)-2-(3-oxo-4H-quinoxalin-2-yl)-2-(phenylhydrazinylidene)acetaldehyde
PubChem CID135548597
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name(2Z)-2-(3-oxo-4H-quinoxalin-2-yl)-2-(phenylhydrazinylidene)acetaldehyde
SMILESO=C/C(=N\Nc1ccccc1)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C16H12N4O2/c21-10-14(20-19-11-6-2-1-3-7-11)15-16(22)18-13-9-5-4-8-12(13)17-15/h1-10,19H,(H,18,22)/b20-14+
InChIKeyAGOCENCHHQWRRS-XSFVSMFZSA-N
XLogP1.94
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2Z)-2-(3-oxo-4H-quinoxalin-2-yl)-2-(phenylhydrazinylidene)acetaldehyde 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

2-[(4-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde
CID 3568770
(2Z)-2-[(3-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde
CID 135822360
4-[(2Z)-2-[2-oxo-1-(3-oxo-4H-quinoxalin-2-yl)ethylidene]hydrazinyl]benzenesulfonamide
CID 135822341
3-[N-anilino-C-(1,2,3-trihydroxypropyl)carbonimidoyl]-1H-quinoxalin-2-one
CID 3713737
3-[(E)-N-anilino-C-(2,3,4,5,6-pentafluorobenzoyl)carbonimidoyl]-1H-quinoxalin-2-one
CID 171981705
3-[(E)-N-anilino-C-(4-methoxybenzoyl)carbonimidoyl]-1H-quinoxalin-2-one
CID 135423303
3-[(phenylhydrazinylidene)methyl]-1H-quinoxalin-2-one
CID 137201303
3-[(E)-C-benzoyl-N-(4-methoxyanilino)carbonimidoyl]-1H-quinoxalin-2-one
CID 135545421
3-[(E)-C-benzoyl-N-(3-nitroanilino)carbonimidoyl]-1H-quinoxalin-2-one
CID 135497109
3-[(Z)-N-(4-chloroanilino)-C-(5-methyl-1,3,4-oxadiazol-2-yl)carbonimidoyl]-1H-quinoxalin-2-one
CID 135841489
3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one
CID 137037919
3-[(E)-1,2-diamino-2-phenylethenyl]-1H-quinoxalin-2-one
CID 142897064

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(3-oxo-4H-quinoxalin-2-yl)-2-(phenylhydrazinylidene)acetaldehyde?
The IUPAC name of (2Z)-2-(3-oxo-4H-quinoxalin-2-yl)-2-(phenylhydrazinylidene)acetaldehyde (CID 135548597) is (2Z)-2-(3-oxo-4H-quinoxalin-2-yl)-2-(phenylhydrazinylidene)acetaldehyde.
What is the SMILES notation for (2Z)-2-(3-oxo-4H-quinoxalin-2-yl)-2-(phenylhydrazinylidene)acetaldehyde?
The canonical SMILES for (2Z)-2-(3-oxo-4H-quinoxalin-2-yl)-2-(phenylhydrazinylidene)acetaldehyde is O=C/C(=N\Nc1ccccc1)c1nc2ccccc2[nH]c1=O.
What is the InChIKey of (2Z)-2-(3-oxo-4H-quinoxalin-2-yl)-2-(phenylhydrazinylidene)acetaldehyde?
The InChIKey is AGOCENCHHQWRRS-XSFVSMFZSA-N. The full InChI is InChI=1S/C16H12N4O2/c21-10-14(20-19-11-6-2-1-3-7-11)15-16(22)18-13-9-5-4-8-12(13)17-15/h1-10,19H,(H,18,22)/b20-14+.
What are the key properties of (2Z)-2-(3-oxo-4H-quinoxalin-2-yl)-2-(phenylhydrazinylidene)acetaldehyde?
(2Z)-2-(3-oxo-4H-quinoxalin-2-yl)-2-(phenylhydrazinylidene)acetaldehyde has a molecular weight of 292.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3-oxo-4H-quinoxalin-2-yl)-2-(phenylhydrazinylidene)acetaldehyde is sourced from PubChem (CID 135548597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).