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

C16H11FN4O2 — CID 135822360

IUPAC(2Z)-2-[(3-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde
SMILESO=C/C(=N\Nc1cccc(F)c1)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C16H11FN4O2/c17-10-4-3-5-11(8-10)20-21-14(9-22)15-16(23)19-13-7-2-1-6-12(13)18-15/h1-9,20H,(H,19,23)/b21-14+
InChIKeyISKUNIRAFLXANK-KGENOOAVSA-N
MW310.29 g/mol
LogP2.08
Rot. Bonds4

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

(2Z)-2-[(3-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde (PubChem CID 135822360) has the molecular formula C16H11FN4O2 and a molecular weight of 310.29 g/mol. Its IUPAC name is (2Z)-2-[(3-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde.

Molecular Properties

Compound Name(2Z)-2-[(3-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde
PubChem CID135822360
Molecular FormulaC16H11FN4O2
Molecular Weight310.29 g/mol
Exact Mass310.09
IUPAC Name(2Z)-2-[(3-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde
SMILESO=C/C(=N\Nc1cccc(F)c1)c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C16H11FN4O2/c17-10-4-3-5-11(8-10)20-21-14(9-22)15-16(23)19-13-7-2-1-6-12(13)18-15/h1-9,20H,(H,19,23)/b21-14+
InChIKeyISKUNIRAFLXANK-KGENOOAVSA-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

2-[(4-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde
CID 3568770
(2Z)-2-(3-oxo-4H-quinoxalin-2-yl)-2-(phenylhydrazinylidene)acetaldehyde
CID 135548597
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
(2E)-N-(3-fluoroanilino)-1H-benzimidazole-2-carboximidoyl cyanide
CID 135576853
3-[(E)-C-benzoyl-N-(3-nitroanilino)carbonimidoyl]-1H-quinoxalin-2-one
CID 135497109
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
N-(3-methylphenyl)-3-oxo-4H-quinoxaline-2-carboxamide
CID 53016080
3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one
CID 13425945
3-[(E)-C-benzoyl-N-(4-methoxyanilino)carbonimidoyl]-1H-quinoxalin-2-one
CID 135545421
3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one
CID 137037919

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde?
The IUPAC name of (2Z)-2-[(3-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde (CID 135822360) is (2Z)-2-[(3-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde.
What is the SMILES notation for (2Z)-2-[(3-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde?
The canonical SMILES for (2Z)-2-[(3-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde is O=C/C(=N\Nc1cccc(F)c1)c1nc2ccccc2[nH]c1=O.
What is the InChIKey of (2Z)-2-[(3-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde?
The InChIKey is ISKUNIRAFLXANK-KGENOOAVSA-N. The full InChI is InChI=1S/C16H11FN4O2/c17-10-4-3-5-11(8-10)20-21-14(9-22)15-16(23)19-13-7-2-1-6-12(13)18-15/h1-9,20H,(H,19,23)/b21-14+.
What are the key properties of (2Z)-2-[(3-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde?
(2Z)-2-[(3-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 (2Z)-2-[(3-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde is sourced from PubChem (CID 135822360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).