2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(2-ethylphenyl)acetamide

C21H21N5O2 — CID 53061554

IUPAC2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)Cn1c(=O)c2nnc(CC)n2c2ccccc21
InChIInChI=1S/C21H21N5O2/c1-3-14-9-5-6-10-15(14)22-19(27)13-25-16-11-7-8-12-17(16)26-18(4-2)23-24-20(26)21(25)28/h5-12H,3-4,13H2,1-2H3,(H,22,27)
InChIKeyKRJLOPHBGFQJNF-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.81
Rot. Bonds5

About 2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(2-ethylphenyl)acetamide

2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(2-ethylphenyl)acetamide (PubChem CID 53061554) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(2-ethylphenyl)acetamide
PubChem CID53061554
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)Cn1c(=O)c2nnc(CC)n2c2ccccc21
InChIInChI=1S/C21H21N5O2/c1-3-14-9-5-6-10-15(14)22-19(27)13-25-16-11-7-8-12-17(16)26-18(4-2)23-24-20(26)21(25)28/h5-12H,3-4,13H2,1-2H3,(H,22,27)
InChIKeyKRJLOPHBGFQJNF-UHFFFAOYSA-N
XLogP2.81
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061514
N-(4-acetamidophenyl)-2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061599
2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(4-methylphenyl)acetamide
CID 53061542
N-(3,4-dimethylphenyl)-2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061560
N-(2-bromophenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061509
2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53061570
N-butan-2-yl-2-(4-oxo-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061615
2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(4-methylphenyl)acetamide
CID 53061500
N-(2,6-dimethylphenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061517
N-(2-ethylphenyl)-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 71841504
1-ethyl-5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 53061600

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(2-ethylphenyl)acetamide (CID 53061554) is 2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)Cn1c(=O)c2nnc(CC)n2c2ccccc21.
What is the InChIKey of 2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(2-ethylphenyl)acetamide?
The InChIKey is KRJLOPHBGFQJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-3-14-9-5-6-10-15(14)22-19(27)13-25-16-11-7-8-12-17(16)26-18(4-2)23-24-20(26)21(25)28/h5-12H,3-4,13H2,1-2H3,(H,22,27).
What are the key properties of 2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(2-ethylphenyl)acetamide?
2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(2-ethylphenyl)acetamide has a molecular weight of 375.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 53061554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).