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

C27H24FN5O3 — CID 53028588

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

N-(4-butylphenyl)-2-[4-(4-fluorophenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide (PubChem CID 53028588) has the molecular formula C27H24FN5O3 and a molecular weight of 485.52 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-[4-(4-fluorophenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-butylphenyl)-2-[4-(4-fluorophenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
• PubChem CID: 53028588
• Molecular Formula: C27H24FN5O3
• Molecular Weight: 485.52 g/mol
• Exact Mass: 485.19
• IUPAC Name: N-(4-butylphenyl)-2-[4-(4-fluorophenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
• SMILES: CCCCc1ccc(NC(=O)Cn2nc3c(Oc4ccc(F)cc4)nc4ccccc4n3c2=O)cc1
• InChI: InChI=1S/C27H24FN5O3/c1-2-3-6-18-9-13-20(14-10-18)29-24(34)17-32-27(35)33-23-8-5-4-7-22(23)30-26(25(33)31-32)36-21-15-11-19(28)12-16-21/h4-5,7-16H,2-3,6,17H2,1H3,(H,29,34)
• InChIKey: NYOZOLIJGWAUPP-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.52
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(4-butylphenyl)-2-[4-(4-fluorophenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide (CID 53028588) is N-(4-butylphenyl)-2-[4-(4-fluorophenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide.

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

The canonical SMILES for N-(4-butylphenyl)-2-[4-(4-fluorophenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide is CCCCc1ccc(NC(=O)Cn2nc3c(Oc4ccc(F)cc4)nc4ccccc4n3c2=O)cc1.

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

The InChIKey is NYOZOLIJGWAUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O3/c1-2-3-6-18-9-13-20(14-10-18)29-24(34)17-32-27(35)33-23-8-5-4-7-22(23)30-26(25(33)31-32)36-21-15-11-19(28)12-16-21/h4-5,7-16H,2-3,6,17H2,1H3,(H,29,34).

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

N-(4-butylphenyl)-2-[4-(4-fluorophenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide has a molecular weight of 485.52 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-butylphenyl)-2-[4-(4-fluorophenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide is sourced from PubChem (CID 53028588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).