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

C26H22N6O4 — CID 53028465

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

N-(4-acetamidophenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide (PubChem CID 53028465) has the molecular formula C26H22N6O4 and a molecular weight of 482.50 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-acetamidophenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
• PubChem CID: 53028465
• Molecular Formula: C26H22N6O4
• Molecular Weight: 482.50 g/mol
• Exact Mass: 482.17
• IUPAC Name: N-(4-acetamidophenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
• SMILES: CC(=O)Nc1ccc(NC(=O)Cn2nc3c(Oc4ccc(C)cc4)nc4ccccc4n3c2=O)cc1
• InChI: InChI=1S/C26H22N6O4/c1-16-7-13-20(14-8-16)36-25-24-30-31(26(35)32(24)22-6-4-3-5-21(22)29-25)15-23(34)28-19-11-9-18(10-12-19)27-17(2)33/h3-14H,15H2,1-2H3,(H,27,33)(H,28,34)
• InChIKey: VDSRNZYSHUGARS-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 119.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.50
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide?

The IUPAC name of N-(4-acetamidophenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide (CID 53028465) is N-(4-acetamidophenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide.

What is the SMILES notation for N-(4-acetamidophenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide?

The canonical SMILES for N-(4-acetamidophenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide is CC(=O)Nc1ccc(NC(=O)Cn2nc3c(Oc4ccc(C)cc4)nc4ccccc4n3c2=O)cc1.

What is the InChIKey of N-(4-acetamidophenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide?

The InChIKey is VDSRNZYSHUGARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O4/c1-16-7-13-20(14-8-16)36-25-24-30-31(26(35)32(24)22-6-4-3-5-21(22)29-25)15-23(34)28-19-11-9-18(10-12-19)27-17(2)33/h3-14H,15H2,1-2H3,(H,27,33)(H,28,34).

What are the key properties of N-(4-acetamidophenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide?

N-(4-acetamidophenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide has a molecular weight of 482.50 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-acetamidophenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide is sourced from PubChem (CID 53028465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).