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

C27H25N5O3 — CID 53028604

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

2-[4-(2,3-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 53028604) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-(2,3-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-(2,4-dimethylphenyl)acetamide
• PubChem CID: 53028604
• Molecular Formula: C27H25N5O3
• Molecular Weight: 467.53 g/mol
• Exact Mass: 467.20
• IUPAC Name: 2-[4-(2,3-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-(2,4-dimethylphenyl)acetamide
• SMILES: Cc1ccc(NC(=O)Cn2nc3c(Oc4cccc(C)c4C)nc4ccccc4n3c2=O)c(C)c1
• InChI: InChI=1S/C27H25N5O3/c1-16-12-13-20(18(3)14-16)28-24(33)15-31-27(34)32-22-10-6-5-9-21(22)29-26(25(32)30-31)35-23-11-7-8-17(2)19(23)4/h5-14H,15H2,1-4H3,(H,28,33)
• InChIKey: XJVAGWBFXFWCCA-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.53
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[4-(2,3-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-(2,4-dimethylphenyl)acetamide (CID 53028604) is 2-[4-(2,3-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-(2,4-dimethylphenyl)acetamide.

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

The canonical SMILES for 2-[4-(2,3-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cn2nc3c(Oc4cccc(C)c4C)nc4ccccc4n3c2=O)c(C)c1.

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

The InChIKey is XJVAGWBFXFWCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c1-16-12-13-20(18(3)14-16)28-24(33)15-31-27(34)32-22-10-6-5-9-21(22)29-26(25(32)30-31)35-23-11-7-8-17(2)19(23)4/h5-14H,15H2,1-4H3,(H,28,33).

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

2-[4-(2,3-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 467.53 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2,3-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 53028604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).