5-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid

C18H13ClN4O3 — CID 46261177

About 5-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid

5-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid (PubChem CID 46261177) has the molecular formula C18H13ClN4O3 and a molecular weight of 368.78 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
• PubChem CID: 46261177
• Molecular Formula: C18H13ClN4O3
• Molecular Weight: 368.78 g/mol
• Exact Mass: 368.07
• IUPAC Name: 5-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
• SMILES: Cc1ccc2c(c1)n(Cc1ccc(Cl)cc1)c(=O)c1nc(C(=O)O)nn12
• InChI: InChI=1S/C18H13ClN4O3/c1-10-2-7-13-14(8-10)22(9-11-3-5-12(19)6-4-11)17(24)16-20-15(18(25)26)21-23(13)16/h2-8H,9H2,1H3,(H,25,26)
• InChIKey: AOCRLHBJPMZBTC-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 89.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.78
LogP ≤ 5	2.75
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-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid?

The IUPAC name of 5-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid (CID 46261177) is 5-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid.

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

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

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

The InChIKey is AOCRLHBJPMZBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O3/c1-10-2-7-13-14(8-10)22(9-11-3-5-12(19)6-4-11)17(24)16-20-15(18(25)26)21-23(13)16/h2-8H,9H2,1H3,(H,25,26).

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

5-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid has a molecular weight of 368.78 g/mol, XLogP of 2.75, 3 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-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid is sourced from PubChem (CID 46261177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).