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

C27H25N5O4 — CID 45498370

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

2-[4-(3,5-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 45498370) has the molecular formula C27H25N5O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-(3,5-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-(4-ethoxyphenyl)acetamide
• PubChem CID: 45498370
• Molecular Formula: C27H25N5O4
• Molecular Weight: 483.53 g/mol
• Exact Mass: 483.19
• IUPAC Name: 2-[4-(3,5-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-(4-ethoxyphenyl)acetamide
• SMILES: CCOc1ccc(NC(=O)Cn2nc3c(Oc4cc(C)cc(C)c4)nc4ccccc4n3c2=O)cc1
• InChI: InChI=1S/C27H25N5O4/c1-4-35-20-11-9-19(10-12-20)28-24(33)16-31-27(34)32-23-8-6-5-7-22(23)29-26(25(32)30-31)36-21-14-17(2)13-18(3)15-21/h5-15H,4,16H2,1-3H3,(H,28,33)
• InChIKey: RWZDWDYZZYBINW-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 99.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.53
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[4-(3,5-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-(4-ethoxyphenyl)acetamide (CID 45498370) is 2-[4-(3,5-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-(4-ethoxyphenyl)acetamide.

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

The canonical SMILES for 2-[4-(3,5-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)Cn2nc3c(Oc4cc(C)cc(C)c4)nc4ccccc4n3c2=O)cc1.

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

The InChIKey is RWZDWDYZZYBINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O4/c1-4-35-20-11-9-19(10-12-20)28-24(33)16-31-27(34)32-23-8-6-5-7-22(23)29-26(25(32)30-31)36-21-14-17(2)13-18(3)15-21/h5-15H,4,16H2,1-3H3,(H,28,33).

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

2-[4-(3,5-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 483.53 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3,5-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 45498370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).