2-[(4-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde

C16H11FN4O2 — CID 3568770

IUPAC2-[(4-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde
SMILESO=CC(=NNc1ccc(F)cc1)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C16H11FN4O2/c17-10-5-7-11(8-6-10)20-21-14(9-22)15-16(23)19-13-4-2-1-3-12(13)18-15/h1-9,20H,(H,19,23)
InChIKeyXVLPKDGECREGQS-UHFFFAOYSA-N
MW310.29 g/mol
LogP2.08
Rot. Bonds4

About 2-[(4-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde

2-[(4-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde (PubChem CID 3568770) has the molecular formula C16H11FN4O2 and a molecular weight of 310.29 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-[(4-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde
PubChem CID3568770
Molecular FormulaC16H11FN4O2
Molecular Weight310.29 g/mol
Exact Mass310.09
IUPAC Name2-[(4-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde
SMILESO=CC(=NNc1ccc(F)cc1)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C16H11FN4O2/c17-10-5-7-11(8-6-10)20-21-14(9-22)15-16(23)19-13-4-2-1-3-12(13)18-15/h1-9,20H,(H,19,23)
InChIKeyXVLPKDGECREGQS-UHFFFAOYSA-N
XLogP2.08
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 52.08
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'}

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Related Compounds

(2Z)-2-(3-oxo-4H-quinoxalin-2-yl)-2-(phenylhydrazinylidene)acetaldehyde
CID 135548597
(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-[(E)-N-anilino-C-(2,3,4,5,6-pentafluorobenzoyl)carbonimidoyl]-1H-quinoxalin-2-one
CID 171981705
3-[(E)-C-benzoyl-N-(4-methoxyanilino)carbonimidoyl]-1H-quinoxalin-2-one
CID 135545421
3-[N-anilino-C-(1,2,3-trihydroxypropyl)carbonimidoyl]-1H-quinoxalin-2-one
CID 3713737
3-[(E)-N-anilino-C-(4-methoxybenzoyl)carbonimidoyl]-1H-quinoxalin-2-one
CID 135423303
3-[(Z)-N-(4-chloroanilino)-C-(5-methyl-1,3,4-oxadiazol-2-yl)carbonimidoyl]-1H-quinoxalin-2-one
CID 135841489
3-[(phenylhydrazinylidene)methyl]-1H-quinoxalin-2-one
CID 137201303
3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one
CID 137037919
3-oxo-N-propyl-4H-quinoxaline-2-carboxamide
CID 143678915
3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one
CID 13425945

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde?
The IUPAC name of 2-[(4-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde (CID 3568770) is 2-[(4-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde.
What is the SMILES notation for 2-[(4-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde?
The canonical SMILES for 2-[(4-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde is O=CC(=NNc1ccc(F)cc1)c1nc2ccccc2[nH]c1=O.
What is the InChIKey of 2-[(4-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde?
The InChIKey is XVLPKDGECREGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O2/c17-10-5-7-11(8-6-10)20-21-14(9-22)15-16(23)19-13-4-2-1-3-12(13)18-15/h1-9,20H,(H,19,23).
What are the key properties of 2-[(4-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde?
2-[(4-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde has a molecular weight of 310.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde is sourced from PubChem (CID 3568770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).