1-[2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl]pyrrolidine-2,5-dione

C20H15ClN4O2 — CID 4914420

IUPAC1-[2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCn1c2ccc(Cl)cc2c2nc3ccccc3nc21
InChIInChI=1S/C20H15ClN4O2/c21-12-5-6-16-13(11-12)19-20(23-15-4-2-1-3-14(15)22-19)24(16)9-10-25-17(26)7-8-18(25)27/h1-6,11H,7-10H2
InChIKeyVOIXQIKYSLPQTP-UHFFFAOYSA-N
MW378.82 g/mol
LogP3.54
Rot. Bonds3

About 1-[2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl]pyrrolidine-2,5-dione

1-[2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 4914420) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 1-[2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID4914420
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name1-[2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCn1c2ccc(Cl)cc2c2nc3ccccc3nc21
InChIInChI=1S/C20H15ClN4O2/c21-12-5-6-16-13(11-12)19-20(23-15-4-2-1-3-14(15)22-19)24(16)9-10-25-17(26)7-8-18(25)27/h1-6,11H,7-10H2
InChIKeyVOIXQIKYSLPQTP-UHFFFAOYSA-N
XLogP3.54
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl]pyrrolidine-2,5-dione (CID 4914420) is 1-[2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCn1c2ccc(Cl)cc2c2nc3ccccc3nc21.
What is the InChIKey of 1-[2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is VOIXQIKYSLPQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c21-12-5-6-16-13(11-12)19-20(23-15-4-2-1-3-14(15)22-19)24(16)9-10-25-17(26)7-8-18(25)27/h1-6,11H,7-10H2.
What are the key properties of 1-[2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl]pyrrolidine-2,5-dione?
1-[2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 378.82 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(9-chloroindolo[3,2-b]quinoxalin-6-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 4914420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).