1-benzyl-6-chloro-4-(2-phenoxyethyl)quinoxaline-2,3-dione

C23H19ClN2O3 — CID 2124712

IUPAC1-benzyl-6-chloro-4-(2-phenoxyethyl)quinoxaline-2,3-dione
SMILESO=c1c(=O)n(Cc2ccccc2)c2ccc(Cl)cc2n1CCOc1ccccc1
InChIInChI=1S/C23H19ClN2O3/c24-18-11-12-20-21(15-18)25(13-14-29-19-9-5-2-6-10-19)22(27)23(28)26(20)16-17-7-3-1-4-8-17/h1-12,15H,13-14,16H2
InChIKeyKAPKNYFBDHVAGO-UHFFFAOYSA-N
MW406.87 g/mol
LogP3.94
Rot. Bonds6

About 1-benzyl-6-chloro-4-(2-phenoxyethyl)quinoxaline-2,3-dione

1-benzyl-6-chloro-4-(2-phenoxyethyl)quinoxaline-2,3-dione (PubChem CID 2124712) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is 1-benzyl-6-chloro-4-(2-phenoxyethyl)quinoxaline-2,3-dione.

Molecular Properties

Compound Name1-benzyl-6-chloro-4-(2-phenoxyethyl)quinoxaline-2,3-dione
PubChem CID2124712
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name1-benzyl-6-chloro-4-(2-phenoxyethyl)quinoxaline-2,3-dione
SMILESO=c1c(=O)n(Cc2ccccc2)c2ccc(Cl)cc2n1CCOc1ccccc1
InChIInChI=1S/C23H19ClN2O3/c24-18-11-12-20-21(15-18)25(13-14-29-19-9-5-2-6-10-19)22(27)23(28)26(20)16-17-7-3-1-4-8-17/h1-12,15H,13-14,16H2
InChIKeyKAPKNYFBDHVAGO-UHFFFAOYSA-N
XLogP3.94
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-benzyl-6-chloro-4-(2-phenoxyethyl)quinoxaline-2,3-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-benzyl-6-chloro-4-(2-phenoxyethyl)quinoxaline-2,3-dione?
The IUPAC name of 1-benzyl-6-chloro-4-(2-phenoxyethyl)quinoxaline-2,3-dione (CID 2124712) is 1-benzyl-6-chloro-4-(2-phenoxyethyl)quinoxaline-2,3-dione.
What is the SMILES notation for 1-benzyl-6-chloro-4-(2-phenoxyethyl)quinoxaline-2,3-dione?
The canonical SMILES for 1-benzyl-6-chloro-4-(2-phenoxyethyl)quinoxaline-2,3-dione is O=c1c(=O)n(Cc2ccccc2)c2ccc(Cl)cc2n1CCOc1ccccc1.
What is the InChIKey of 1-benzyl-6-chloro-4-(2-phenoxyethyl)quinoxaline-2,3-dione?
The InChIKey is KAPKNYFBDHVAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c24-18-11-12-20-21(15-18)25(13-14-29-19-9-5-2-6-10-19)22(27)23(28)26(20)16-17-7-3-1-4-8-17/h1-12,15H,13-14,16H2.
What are the key properties of 1-benzyl-6-chloro-4-(2-phenoxyethyl)quinoxaline-2,3-dione?
1-benzyl-6-chloro-4-(2-phenoxyethyl)quinoxaline-2,3-dione has a molecular weight of 406.87 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-chloro-4-(2-phenoxyethyl)quinoxaline-2,3-dione is sourced from PubChem (CID 2124712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).