1-(3-indolo[3,2-b]quinoxalin-6-ylpropyl)pyrrolidine-2,5-dione

C21H18N4O2 — CID 2928220

IUPAC1-(3-indolo[3,2-b]quinoxalin-6-ylpropyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C21H18N4O2/c26-18-10-11-19(27)25(18)13-5-12-24-17-9-4-1-6-14(17)20-21(24)23-16-8-3-2-7-15(16)22-20/h1-4,6-9H,5,10-13H2
InChIKeyPBZMSKYSVBNKJM-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.28
Rot. Bonds4

About 1-(3-indolo[3,2-b]quinoxalin-6-ylpropyl)pyrrolidine-2,5-dione

1-(3-indolo[3,2-b]quinoxalin-6-ylpropyl)pyrrolidine-2,5-dione (PubChem CID 2928220) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-(3-indolo[3,2-b]quinoxalin-6-ylpropyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-indolo[3,2-b]quinoxalin-6-ylpropyl)pyrrolidine-2,5-dione
PubChem CID2928220
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name1-(3-indolo[3,2-b]quinoxalin-6-ylpropyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C21H18N4O2/c26-18-10-11-19(27)25(18)13-5-12-24-17-9-4-1-6-14(17)20-21(24)23-16-8-3-2-7-15(16)22-20/h1-4,6-9H,5,10-13H2
InChIKeyPBZMSKYSVBNKJM-UHFFFAOYSA-N
XLogP3.28
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-indolo[3,2-b]quinoxalin-6-ylpropyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-indolo[3,2-b]quinoxalin-6-ylpropyl)pyrrolidine-2,5-dione (CID 2928220) is 1-(3-indolo[3,2-b]quinoxalin-6-ylpropyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-indolo[3,2-b]quinoxalin-6-ylpropyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-indolo[3,2-b]quinoxalin-6-ylpropyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCCn1c2ccccc2c2nc3ccccc3nc21.
What is the InChIKey of 1-(3-indolo[3,2-b]quinoxalin-6-ylpropyl)pyrrolidine-2,5-dione?
The InChIKey is PBZMSKYSVBNKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c26-18-10-11-19(27)25(18)13-5-12-24-17-9-4-1-6-14(17)20-21(24)23-16-8-3-2-7-15(16)22-20/h1-4,6-9H,5,10-13H2.
What are the key properties of 1-(3-indolo[3,2-b]quinoxalin-6-ylpropyl)pyrrolidine-2,5-dione?
1-(3-indolo[3,2-b]quinoxalin-6-ylpropyl)pyrrolidine-2,5-dione has a molecular weight of 358.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-indolo[3,2-b]quinoxalin-6-ylpropyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2928220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).