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

C26H23N5O5 — CID 53028451

IUPACN-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2nc3c(Oc4ccc(C)cc4)nc4ccccc4n3c2=O)c1
InChIInChI=1S/C26H23N5O5/c1-16-8-10-17(11-9-16)36-25-24-29-30(26(33)31(24)21-7-5-4-6-19(21)28-25)15-23(32)27-20-14-18(34-2)12-13-22(20)35-3/h4-14H,15H2,1-3H3,(H,27,32)
InChIKeyLBPUSSWMLXHXFH-UHFFFAOYSA-N
MW485.50 g/mol
LogP3.80
Rot. Bonds7

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

N-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide (PubChem CID 53028451) has the molecular formula C26H23N5O5 and a molecular weight of 485.50 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
PubChem CID53028451
Molecular FormulaC26H23N5O5
Molecular Weight485.50 g/mol
Exact Mass485.17
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2nc3c(Oc4ccc(C)cc4)nc4ccccc4n3c2=O)c1
InChIInChI=1S/C26H23N5O5/c1-16-8-10-17(11-9-16)36-25-24-29-30(26(33)31(24)21-7-5-4-6-19(21)28-25)15-23(32)27-20-14-18(34-2)12-13-22(20)35-3/h4-14H,15H2,1-3H3,(H,27,32)
InChIKeyLBPUSSWMLXHXFH-UHFFFAOYSA-N
XLogP3.80
TPSA108.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.50
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 53028554
N-(2,5-dimethoxyphenyl)-2-[4-(2,3-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 53028602
N-(4-acetamidophenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 53028465
N-(2-methylphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 53028534
N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 50787712
2-[4-(2,3-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 53028604
N-(2,4-difluorophenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 53028565
2-[4-(3,5-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-(4-ethoxyphenyl)acetamide
CID 45498370
N-(2,6-dimethylphenyl)-2-[1-oxo-4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 53028524
2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-propan-2-ylacetamide
CID 53028582
N-(2,5-dimethoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 4880410
N-(4-ethylphenyl)-2-[1-oxo-4-(4-propan-2-ylphenoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 53028518

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide (CID 53028451) is N-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide is COc1ccc(OC)c(NC(=O)Cn2nc3c(Oc4ccc(C)cc4)nc4ccccc4n3c2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide?
The InChIKey is LBPUSSWMLXHXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O5/c1-16-8-10-17(11-9-16)36-25-24-29-30(26(33)31(24)21-7-5-4-6-19(21)28-25)15-23(32)27-20-14-18(34-2)12-13-22(20)35-3/h4-14H,15H2,1-3H3,(H,27,32).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide has a molecular weight of 485.50 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide is sourced from PubChem (CID 53028451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).