N-(3-acetylphenyl)-5-[(3-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide

C26H20ClN5O3 — CID 46377761

About N-(3-acetylphenyl)-5-[(3-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide

N-(3-acetylphenyl)-5-[(3-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (PubChem CID 46377761) has the molecular formula C26H20ClN5O3 and a molecular weight of 485.93 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-[(3-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.

Molecular Properties

• Compound Name: N-(3-acetylphenyl)-5-[(3-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
• PubChem CID: 46377761
• Molecular Formula: C26H20ClN5O3
• Molecular Weight: 485.93 g/mol
• Exact Mass: 485.13
• IUPAC Name: N-(3-acetylphenyl)-5-[(3-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
• SMILES: CC(=O)c1cccc(NC(=O)c2nc3c(=O)n(Cc4cccc(Cl)c4)c4cc(C)ccc4n3n2)c1
• InChI: InChI=1S/C26H20ClN5O3/c1-15-9-10-21-22(11-15)31(14-17-5-3-7-19(27)12-17)26(35)24-29-23(30-32(21)24)25(34)28-20-8-4-6-18(13-20)16(2)33/h3-13H,14H2,1-2H3,(H,28,34)
• InChIKey: PLXWFTXVUYPWCM-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 98.36 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	485.93
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-[(3-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?

The IUPAC name of N-(3-acetylphenyl)-5-[(3-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (CID 46377761) is N-(3-acetylphenyl)-5-[(3-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.

What is the SMILES notation for N-(3-acetylphenyl)-5-[(3-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?

The canonical SMILES for N-(3-acetylphenyl)-5-[(3-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is CC(=O)c1cccc(NC(=O)c2nc3c(=O)n(Cc4cccc(Cl)c4)c4cc(C)ccc4n3n2)c1.

What is the InChIKey of N-(3-acetylphenyl)-5-[(3-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?

The InChIKey is PLXWFTXVUYPWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN5O3/c1-15-9-10-21-22(11-15)31(14-17-5-3-7-19(27)12-17)26(35)24-29-23(30-32(21)24)25(34)28-20-8-4-6-18(13-20)16(2)33/h3-13H,14H2,1-2H3,(H,28,34).

What are the key properties of N-(3-acetylphenyl)-5-[(3-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?

N-(3-acetylphenyl)-5-[(3-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide has a molecular weight of 485.93 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-acetylphenyl)-5-[(3-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is sourced from PubChem (CID 46377761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).