1-(2-chlorophenyl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide

C23H23ClN6O — CID 71152059

About 1-(2-chlorophenyl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide

1-(2-chlorophenyl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (PubChem CID 71152059) has the molecular formula C23H23ClN6O and a molecular weight of 434.93 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.

Molecular Properties

• Compound Name: 1-(2-chlorophenyl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
• PubChem CID: 71152059
• Molecular Formula: C23H23ClN6O
• Molecular Weight: 434.93 g/mol
• Exact Mass: 434.16
• IUPAC Name: 1-(2-chlorophenyl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
• SMILES: Cc1nc2ccc(C(=O)NCCN3CCCC3)cc2n2c(-c3ccccc3Cl)nnc12
• InChI: InChI=1S/C23H23ClN6O/c1-15-21-27-28-22(17-6-2-3-7-18(17)24)30(21)20-14-16(8-9-19(20)26-15)23(31)25-10-13-29-11-4-5-12-29/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,25,31)
• InChIKey: KTVOIZSPBSYWIC-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.93
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?

The IUPAC name of 1-(2-chlorophenyl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (CID 71152059) is 1-(2-chlorophenyl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.

What is the SMILES notation for 1-(2-chlorophenyl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?

The canonical SMILES for 1-(2-chlorophenyl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is Cc1nc2ccc(C(=O)NCCN3CCCC3)cc2n2c(-c3ccccc3Cl)nnc12.

What is the InChIKey of 1-(2-chlorophenyl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?

The InChIKey is KTVOIZSPBSYWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O/c1-15-21-27-28-22(17-6-2-3-7-18(17)24)30(21)20-14-16(8-9-19(20)26-15)23(31)25-10-13-29-11-4-5-12-29/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,25,31).

What are the key properties of 1-(2-chlorophenyl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?

1-(2-chlorophenyl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide has a molecular weight of 434.93 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chlorophenyl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is sourced from PubChem (CID 71152059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).