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

C22H23N5O2 — CID 53061635

IUPACN-(3,5-dimethylphenyl)-2-(4-oxo-1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2c(=O)c3nnc(C(C)C)n3c3ccccc32)c1
InChIInChI=1S/C22H23N5O2/c1-13(2)20-24-25-21-22(29)26(17-7-5-6-8-18(17)27(20)21)12-19(28)23-16-10-14(3)9-15(4)11-16/h5-11,13H,12H2,1-4H3,(H,23,28)
InChIKeyKPZGTJCEBZCVFC-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.42
Rot. Bonds4

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

N-(3,5-dimethylphenyl)-2-(4-oxo-1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide (PubChem CID 53061635) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(4-oxo-1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(4-oxo-1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
PubChem CID53061635
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-(3,5-dimethylphenyl)-2-(4-oxo-1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2c(=O)c3nnc(C(C)C)n3c3ccccc32)c1
InChIInChI=1S/C22H23N5O2/c1-13(2)20-24-25-21-22(29)26(17-7-5-6-8-18(17)27(20)21)12-19(28)23-16-10-14(3)9-15(4)11-16/h5-11,13H,12H2,1-4H3,(H,23,28)
InChIKeyKPZGTJCEBZCVFC-UHFFFAOYSA-N
XLogP3.42
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,5-dimethylphenyl)-2-(4-oxo-1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetamidophenyl)-2-(4-oxo-1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061666
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
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
N-(2-ethylphenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061514
2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 20894952
2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(2-ethylphenyl)acetamide
CID 53061554
N-butan-2-yl-2-(4-oxo-1-propyl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061615
N-phenyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028613

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(4-oxo-1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(4-oxo-1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide (CID 53061635) is N-(3,5-dimethylphenyl)-2-(4-oxo-1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(4-oxo-1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(4-oxo-1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide is Cc1cc(C)cc(NC(=O)Cn2c(=O)c3nnc(C(C)C)n3c3ccccc32)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(4-oxo-1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide?
The InChIKey is KPZGTJCEBZCVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-13(2)20-24-25-21-22(29)26(17-7-5-6-8-18(17)27(20)21)12-19(28)23-16-10-14(3)9-15(4)11-16/h5-11,13H,12H2,1-4H3,(H,23,28).
What are the key properties of N-(3,5-dimethylphenyl)-2-(4-oxo-1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide?
N-(3,5-dimethylphenyl)-2-(4-oxo-1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide has a molecular weight of 389.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(4-oxo-1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide is sourced from PubChem (CID 53061635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).