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

C21H21N5O3 — CID 53061570

IUPAC2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCCc1nnc2c(=O)n(CC(=O)NCc3cccc(OC)c3)c3ccccc3n12
InChIInChI=1S/C21H21N5O3/c1-3-18-23-24-20-21(28)25(16-9-4-5-10-17(16)26(18)20)13-19(27)22-12-14-7-6-8-15(11-14)29-2/h4-11H,3,12-13H2,1-2H3,(H,22,27)
InChIKeyHJVODBOEBHVLNK-UHFFFAOYSA-N
MW391.43 g/mol
LogP1.93
Rot. Bonds6

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

2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 53061570) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID53061570
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCCc1nnc2c(=O)n(CC(=O)NCc3cccc(OC)c3)c3ccccc3n12
InChIInChI=1S/C21H21N5O3/c1-3-18-23-24-20-21(28)25(16-9-4-5-10-17(16)26(18)20)13-19(27)22-12-14-7-6-8-15(11-14)29-2/h4-11H,3,12-13H2,1-2H3,(H,22,27)
InChIKeyHJVODBOEBHVLNK-UHFFFAOYSA-N
XLogP1.93
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-[(3-methoxyphenyl)methyl]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

2-(4-ethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 20887364
N-[(3-methoxyphenyl)methyl]-2-(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 53149136
2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(2-ethylphenyl)acetamide
CID 53061554
N-(3,4-dimethylphenyl)-2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061560
N-[(3-methoxyphenyl)methyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
CID 53207406
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 46259328
2-[2,4-dioxo-3-(2-phenylethyl)pteridin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 53062953
N-[(3-methoxyphenyl)methyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
CID 49153048
2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53172395
5-[1-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-propan-2-ylpentanamide
CID 50762752
N-[(3-methoxyphenyl)methyl]-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 134051104
2-[4-(furan-2-yl)-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 53172416

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-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-[(3-methoxyphenyl)methyl]acetamide (CID 53061570) is 2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-[(3-methoxyphenyl)methyl]acetamide is CCc1nnc2c(=O)n(CC(=O)NCc3cccc(OC)c3)c3ccccc3n12.
What is the InChIKey of 2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is HJVODBOEBHVLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-3-18-23-24-20-21(28)25(16-9-4-5-10-17(16)26(18)20)13-19(27)22-12-14-7-6-8-15(11-14)29-2/h4-11H,3,12-13H2,1-2H3,(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-[(3-methoxyphenyl)methyl]acetamide?
2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 391.43 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 53061570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).