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

C20H19N5O2 — CID 53061542

IUPAC2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(4-methylphenyl)acetamide
SMILESCCc1nnc2c(=O)n(CC(=O)Nc3ccc(C)cc3)c3ccccc3n12
InChIInChI=1S/C20H19N5O2/c1-3-17-22-23-19-20(27)24(15-6-4-5-7-16(15)25(17)19)12-18(26)21-14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,21,26)
InChIKeyJYXPUDLDHZERQU-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.55
Rot. Bonds4

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

2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(4-methylphenyl)acetamide (PubChem CID 53061542) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(4-methylphenyl)acetamide
PubChem CID53061542
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(4-methylphenyl)acetamide
SMILESCCc1nnc2c(=O)n(CC(=O)Nc3ccc(C)cc3)c3ccccc3n12
InChIInChI=1S/C20H19N5O2/c1-3-17-22-23-19-20(27)24(15-6-4-5-7-16(15)25(17)19)12-18(26)21-14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,21,26)
InChIKeyJYXPUDLDHZERQU-UHFFFAOYSA-N
XLogP2.55
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061599
N-(3,4-dimethylphenyl)-2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061560
2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(4-methylphenyl)acetamide
CID 53061500
2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(2-ethylphenyl)acetamide
CID 53061554
2-(3-ethyl-5-oxo-[1,2,4]triazolo[4,3-c]quinazolin-6-yl)-N-(4-methylphenyl)acetamide
CID 164621250
N-(4-acetamidophenyl)-2-(4-oxo-1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061666
N-(2-ethylphenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061514
N-(3,5-dimethylphenyl)-2-(4-oxo-1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061635
N-butan-2-yl-2-(4-oxo-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061615
2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53061570
N-(2,6-dimethylphenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061517
2-(3-methyl-2-oxoquinolin-1-yl)-N-(4-methylphenyl)acetamide
CID 110680370

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-(4-methylphenyl)acetamide?
The IUPAC name of 2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(4-methylphenyl)acetamide (CID 53061542) is 2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(4-methylphenyl)acetamide is CCc1nnc2c(=O)n(CC(=O)Nc3ccc(C)cc3)c3ccccc3n12.
What is the InChIKey of 2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is JYXPUDLDHZERQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-3-17-22-23-19-20(27)24(15-6-4-5-7-16(15)25(17)19)12-18(26)21-14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,21,26).
What are the key properties of 2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(4-methylphenyl)acetamide?
2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 361.41 g/mol, XLogP of 2.55, 4 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 53061542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).