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

C26H22ClN5O2 — CID 53039113

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

5-[(4-chlorophenyl)methyl]-7-methyl-N-[(2-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (PubChem CID 53039113) has the molecular formula C26H22ClN5O2 and a molecular weight of 471.95 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-7-methyl-N-[(2-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-chlorophenyl)methyl]-7-methyl-N-[(2-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
• PubChem CID: 53039113
• Molecular Formula: C26H22ClN5O2
• Molecular Weight: 471.95 g/mol
• Exact Mass: 471.15
• IUPAC Name: 5-[(4-chlorophenyl)methyl]-7-methyl-N-[(2-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
• SMILES: Cc1ccc2c(c1)n(Cc1ccc(Cl)cc1)c(=O)c1nc(C(=O)NCc3ccccc3C)nn12
• InChI: InChI=1S/C26H22ClN5O2/c1-16-7-12-21-22(13-16)31(15-18-8-10-20(27)11-9-18)26(34)24-29-23(30-32(21)24)25(33)28-14-19-6-4-3-5-17(19)2/h3-13H,14-15H2,1-2H3,(H,28,33)
• InChIKey: XMVCWBWVDKYLFD-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 81.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.95
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[(4-chlorophenyl)methyl]-7-methyl-N-[(2-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (CID 53039113) is 5-[(4-chlorophenyl)methyl]-7-methyl-N-[(2-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.

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

The canonical SMILES for 5-[(4-chlorophenyl)methyl]-7-methyl-N-[(2-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is Cc1ccc2c(c1)n(Cc1ccc(Cl)cc1)c(=O)c1nc(C(=O)NCc3ccccc3C)nn12.

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

The InChIKey is XMVCWBWVDKYLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN5O2/c1-16-7-12-21-22(13-16)31(15-18-8-10-20(27)11-9-18)26(34)24-29-23(30-32(21)24)25(33)28-14-19-6-4-3-5-17(19)2/h3-13H,14-15H2,1-2H3,(H,28,33).

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

5-[(4-chlorophenyl)methyl]-7-methyl-N-[(2-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide has a molecular weight of 471.95 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-chlorophenyl)methyl]-7-methyl-N-[(2-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is sourced from PubChem (CID 53039113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).