2-[2-(2-oxo-3,4-dihydroquinoxalin-1-yl)ethyl]isoindole-1,3-dione

C18H15N3O3 — CID 94763938

IUPAC2-[2-(2-oxo-3,4-dihydroquinoxalin-1-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCN1C(=O)CNc2ccccc21
InChIInChI=1S/C18H15N3O3/c22-16-11-19-14-7-3-4-8-15(14)20(16)9-10-21-17(23)12-5-1-2-6-13(12)18(21)24/h1-8,19H,9-11H2
InChIKeyHZAUNQQCAFGZKK-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.74
Rot. Bonds3

About 2-[2-(2-oxo-3,4-dihydroquinoxalin-1-yl)ethyl]isoindole-1,3-dione

2-[2-(2-oxo-3,4-dihydroquinoxalin-1-yl)ethyl]isoindole-1,3-dione (PubChem CID 94763938) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-[2-(2-oxo-3,4-dihydroquinoxalin-1-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2-oxo-3,4-dihydroquinoxalin-1-yl)ethyl]isoindole-1,3-dione
PubChem CID94763938
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name2-[2-(2-oxo-3,4-dihydroquinoxalin-1-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCN1C(=O)CNc2ccccc21
InChIInChI=1S/C18H15N3O3/c22-16-11-19-14-7-3-4-8-15(14)20(16)9-10-21-17(23)12-5-1-2-6-13(12)18(21)24/h1-8,19H,9-11H2
InChIKeyHZAUNQQCAFGZKK-UHFFFAOYSA-N
XLogP1.74
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(2-oxo-3,4-dihydroquinoxalin-1-yl)ethyl]isoindole-1,3-dione with MolForge

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Related Compounds

1-but-3-ynyl-3,4-dihydroquinoxalin-2-one
CID 63643833
1-(2-piperazin-1-ylethyl)-3,4-dihydroquinoxalin-2-one
CID 117030577
4-(2-oxo-3,4-dihydroquinoxalin-1-yl)butanenitrile
CID 62876473
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,4-dihydroquinoxalin-2-one
CID 104566166
4-(4-bromobutyl)-1,2-dihydro-1,4-benzodiazepine-3,5-dione
CID 19024285
1-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydroquinoxalin-2-one
CID 114531269
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
1-(2-methylprop-2-enyl)-3,4-dihydroquinoxalin-2-one
CID 82156911
1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydroquinoxalin-2-one
CID 65446883
2-[4-(1,3-dihydroisoindol-2-yl)butyl]isoindole-1,3-dione
CID 127052466
1-[2-(oxolan-2-yl)ethyl]-3,4-dihydroquinoxalin-2-one
CID 65166169
2,2-dimethyl-6-(2-oxo-3,4-dihydroquinoxalin-1-yl)hexanenitrile
CID 106713828

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxo-3,4-dihydroquinoxalin-1-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2-oxo-3,4-dihydroquinoxalin-1-yl)ethyl]isoindole-1,3-dione (CID 94763938) is 2-[2-(2-oxo-3,4-dihydroquinoxalin-1-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2-oxo-3,4-dihydroquinoxalin-1-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2-oxo-3,4-dihydroquinoxalin-1-yl)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCN1C(=O)CNc2ccccc21.
What is the InChIKey of 2-[2-(2-oxo-3,4-dihydroquinoxalin-1-yl)ethyl]isoindole-1,3-dione?
The InChIKey is HZAUNQQCAFGZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c22-16-11-19-14-7-3-4-8-15(14)20(16)9-10-21-17(23)12-5-1-2-6-13(12)18(21)24/h1-8,19H,9-11H2.
What are the key properties of 2-[2-(2-oxo-3,4-dihydroquinoxalin-1-yl)ethyl]isoindole-1,3-dione?
2-[2-(2-oxo-3,4-dihydroquinoxalin-1-yl)ethyl]isoindole-1,3-dione has a molecular weight of 321.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxo-3,4-dihydroquinoxalin-1-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 94763938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).