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'}

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Related Compounds

Nbd-556
CID 1570601
N-(3-chlorophenyl)-2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide
CID 2874849
7-Chloro-3,4-dihydro-1H-quinoxalin-2-one
CID 285323
2-(5-Chloro-2-morpholin-4-ylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 4880691
(E)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 2670221
2-(4-Benzyl-1-piperazinyl)-N-(3-chloro-4-methylphenyl)acetamide
CID 1206470
4-Benzyl-1,3-dihydroquinoxalin-2-one
CID 759495
(E)-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 2670238
N1-(4-chlorophenyl)-2-(4-benzyl-3-oxo-2-piperazinyl)acetamide
CID 2806928
N-(2-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 4647384
N-[(4-chlorophenyl)methyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6466542
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 6470463

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).