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

C25H21N5O5 — CID 53028554

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

N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide (PubChem CID 53028554) has the molecular formula C25H21N5O5 and a molecular weight of 471.47 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide.

Molecular Properties

• Compound Name: N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
• PubChem CID: 53028554
• Molecular Formula: C25H21N5O5
• Molecular Weight: 471.47 g/mol
• Exact Mass: 471.15
• IUPAC Name: N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
• SMILES: COc1ccc(OC)c(NC(=O)Cn2nc3c(Oc4ccccc4)nc4ccccc4n3c2=O)c1
• InChI: InChI=1S/C25H21N5O5/c1-33-17-12-13-21(34-2)19(14-17)26-22(31)15-29-25(32)30-20-11-7-6-10-18(20)27-24(23(30)28-29)35-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,26,31)
• InChIKey: PUALANGLOKLIBT-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 108.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.47
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?

The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide (CID 53028554) is N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide.

What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?

The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide is COc1ccc(OC)c(NC(=O)Cn2nc3c(Oc4ccccc4)nc4ccccc4n3c2=O)c1.

What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?

The InChIKey is PUALANGLOKLIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O5/c1-33-17-12-13-21(34-2)19(14-17)26-22(31)15-29-25(32)30-20-11-7-6-10-18(20)27-24(23(30)28-29)35-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,26,31).

What are the key properties of N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?

N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide has a molecular weight of 471.47 g/mol, XLogP of 3.49, 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-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide is sourced from PubChem (CID 53028554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).