2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-ethylacetamide

C19H18ClN3O3 — CID 2441441

IUPAC2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C19H18ClN3O3/c1-2-21-17(24)12-23-16-10-14(20)8-9-15(16)22(18(25)19(23)26)11-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H,21,24)
InChIKeyFTPDQDYSDPQSIP-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.00
Rot. Bonds5

About 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-ethylacetamide

2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-ethylacetamide (PubChem CID 2441441) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-ethylacetamide
PubChem CID2441441
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21
InChIInChI=1S/C19H18ClN3O3/c1-2-21-17(24)12-23-16-10-14(20)8-9-15(16)22(18(25)19(23)26)11-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H,21,24)
InChIKeyFTPDQDYSDPQSIP-UHFFFAOYSA-N
XLogP2.00
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-ethylacetamide 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 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-ethylacetamide (CID 2441441) is 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-ethylacetamide is CCNC(=O)Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21.
What is the InChIKey of 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-ethylacetamide?
The InChIKey is FTPDQDYSDPQSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-2-21-17(24)12-23-16-10-14(20)8-9-15(16)22(18(25)19(23)26)11-13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3,(H,21,24).
What are the key properties of 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-ethylacetamide?
2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-ethylacetamide has a molecular weight of 371.82 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-ethylacetamide is sourced from PubChem (CID 2441441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).