4-ethanimidoyl-1,3-dihydroquinoxalin-2-one

C10H11N3O — CID 63172914

IUPAC4-ethanimidoyl-1,3-dihydroquinoxalin-2-one
SMILES[H]/N=C(\C)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C10H11N3O/c1-7(11)13-6-10(14)12-8-4-2-3-5-9(8)13/h2-5,11H,6H2,1H3,(H,12,14)/b11-7+
InChIKeyKAVIYUJXYNHYBE-YRNVUSSQSA-N
MW189.22 g/mol
LogP1.44
Rot. Bonds

About 4-ethanimidoyl-1,3-dihydroquinoxalin-2-one

4-ethanimidoyl-1,3-dihydroquinoxalin-2-one (PubChem CID 63172914) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-ethanimidoyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-ethanimidoyl-1,3-dihydroquinoxalin-2-one
PubChem CID63172914
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-ethanimidoyl-1,3-dihydroquinoxalin-2-one
SMILES[H]/N=C(\C)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C10H11N3O/c1-7(11)13-6-10(14)12-8-4-2-3-5-9(8)13/h2-5,11H,6H2,1H3,(H,12,14)/b11-7+
InChIKeyKAVIYUJXYNHYBE-YRNVUSSQSA-N
XLogP1.44
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(diaminomethylidene)-3-oxo-2,4-dihydroquinoxaline-1-carboximidamide
CID 83031637
2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid
CID 103495892
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one
CID 4749914
4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
CID 30094711
4-(1-acetylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 110667506
4-[(2S)-2-bromo-3-methylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 28822186
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetohydrazide
CID 43164015
4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one
CID 79810105
4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 61148811

Frequently Asked Questions

What is the IUPAC name of 4-ethanimidoyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-ethanimidoyl-1,3-dihydroquinoxalin-2-one (CID 63172914) is 4-ethanimidoyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-ethanimidoyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-ethanimidoyl-1,3-dihydroquinoxalin-2-one is [H]/N=C(\C)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-ethanimidoyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is KAVIYUJXYNHYBE-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7(11)13-6-10(14)12-8-4-2-3-5-9(8)13/h2-5,11H,6H2,1H3,(H,12,14)/b11-7+.
What are the key properties of 4-ethanimidoyl-1,3-dihydroquinoxalin-2-one?
4-ethanimidoyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 189.22 g/mol, XLogP of 1.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethanimidoyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 63172914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).