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

C20H19N5O2 — CID 53061514

IUPACN-(2-ethylphenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
SMILESCCc1ccccc1NC(=O)Cn1c(=O)c2nnc(C)n2c2ccccc21
InChIInChI=1S/C20H19N5O2/c1-3-14-8-4-5-9-15(14)21-18(26)12-24-16-10-6-7-11-17(16)25-13(2)22-23-19(25)20(24)27/h4-11H,3,12H2,1-2H3,(H,21,26)
InChIKeyZQCWREPYSALNHZ-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.55
Rot. Bonds4

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

N-(2-ethylphenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide (PubChem CID 53061514) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
PubChem CID53061514
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-(2-ethylphenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
SMILESCCc1ccccc1NC(=O)Cn1c(=O)c2nnc(C)n2c2ccccc21
InChIInChI=1S/C20H19N5O2/c1-3-14-8-4-5-9-15(14)21-18(26)12-24-16-10-6-7-11-17(16)25-13(2)22-23-19(25)20(24)27/h4-11H,3,12H2,1-2H3,(H,21,26)
InChIKeyZQCWREPYSALNHZ-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

2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(2-ethylphenyl)acetamide
CID 53061554
N-(2-bromophenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061509
N-(2,6-dimethylphenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061517
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-(4-methylphenyl)acetamide
CID 53061542
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-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
N-(4-methoxy-2-methylphenyl)-2-(3-methyl-7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
CID 53149214
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-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 71841504
N-(3,5-dimethylphenyl)-2-(4-oxo-1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061635

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide (CID 53061514) is N-(2-ethylphenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide is CCc1ccccc1NC(=O)Cn1c(=O)c2nnc(C)n2c2ccccc21.
What is the InChIKey of N-(2-ethylphenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide?
The InChIKey is ZQCWREPYSALNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-3-14-8-4-5-9-15(14)21-18(26)12-24-16-10-6-7-11-17(16)25-13(2)22-23-19(25)20(24)27/h4-11H,3,12H2,1-2H3,(H,21,26).
What are the key properties of N-(2-ethylphenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide?
N-(2-ethylphenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)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 N-(2-ethylphenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide is sourced from PubChem (CID 53061514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).