3-[(phenylhydrazinylidene)methyl]-1H-quinoxalin-2-one

C15H12N4O — CID 137201303

IUPAC3-[(phenylhydrazinylidene)methyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1C=NNc1ccccc1
InChIInChI=1S/C15H12N4O/c20-15-14(10-16-19-11-6-2-1-3-7-11)17-12-8-4-5-9-13(12)18-15/h1-10,19H,(H,18,20)
InChIKeyZAJUHOWLVOKWMT-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.37
Rot. Bonds3

About 3-[(phenylhydrazinylidene)methyl]-1H-quinoxalin-2-one

3-[(phenylhydrazinylidene)methyl]-1H-quinoxalin-2-one (PubChem CID 137201303) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-[(phenylhydrazinylidene)methyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(phenylhydrazinylidene)methyl]-1H-quinoxalin-2-one
PubChem CID137201303
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name3-[(phenylhydrazinylidene)methyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1C=NNc1ccccc1
InChIInChI=1S/C15H12N4O/c20-15-14(10-16-19-11-6-2-1-3-7-11)17-12-8-4-5-9-13(12)18-15/h1-10,19H,(H,18,20)
InChIKeyZAJUHOWLVOKWMT-UHFFFAOYSA-N
XLogP2.37
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]-1H-quinoxalin-2-one
CID 135778352
3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one
CID 137037919
(2Z)-2-(3-oxo-4H-quinoxalin-2-yl)-2-(phenylhydrazinylidene)acetaldehyde
CID 135548597
(Z)-3-(3-oxo-4H-quinoxalin-2-yl)prop-2-enoic acid
CID 2554781
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 136851168
3-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 3850152
3-(2-hydroxy-3,3-dimethylbut-1-enyl)-1H-quinoxalin-2-one
CID 702935
3-[(Z)-2-hydroxy-2-(4-hydroxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 135713003
2,4-dimethyl-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidin-6-one
CID 135455303
2-[(4-fluorophenyl)hydrazinylidene]-2-(3-oxo-4H-quinoxalin-2-yl)acetaldehyde
CID 3568770
3-[2-(4-fluorophenyl)ethenyl]-1H-quinoxalin-2-one
CID 2975704
3-[N-anilino-C-(1,2,3-trihydroxypropyl)carbonimidoyl]-1H-quinoxalin-2-one
CID 3713737

Frequently Asked Questions

What is the IUPAC name of 3-[(phenylhydrazinylidene)methyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(phenylhydrazinylidene)methyl]-1H-quinoxalin-2-one (CID 137201303) is 3-[(phenylhydrazinylidene)methyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(phenylhydrazinylidene)methyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(phenylhydrazinylidene)methyl]-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1C=NNc1ccccc1.
What is the InChIKey of 3-[(phenylhydrazinylidene)methyl]-1H-quinoxalin-2-one?
The InChIKey is ZAJUHOWLVOKWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c20-15-14(10-16-19-11-6-2-1-3-7-11)17-12-8-4-5-9-13(12)18-15/h1-10,19H,(H,18,20).
What are the key properties of 3-[(phenylhydrazinylidene)methyl]-1H-quinoxalin-2-one?
3-[(phenylhydrazinylidene)methyl]-1H-quinoxalin-2-one has a molecular weight of 264.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(phenylhydrazinylidene)methyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 137201303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).