2-hydroxy-N-[4-[[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]butyl]-2-methylpropanamide

C21H30N6O4 — CID 142406343

About 2-hydroxy-N-[4-[[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]butyl]-2-methylpropanamide

2-hydroxy-N-[4-[[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]butyl]-2-methylpropanamide (PubChem CID 142406343) has the molecular formula C21H30N6O4 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-hydroxy-N-[4-[[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]butyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-hydroxy-N-[4-[[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]butyl]-2-methylpropanamide
• PubChem CID: 142406343
• Molecular Formula: C21H30N6O4
• Molecular Weight: 430.51 g/mol
• Exact Mass: 430.23
• IUPAC Name: 2-hydroxy-N-[4-[[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]butyl]-2-methylpropanamide
• SMILES: COCCOc1ccc2c(c1)nc(NCCCCNC(=O)C(C)(C)O)c1nnc(C)n12
• InChI: InChI=1S/C21H30N6O4/c1-14-25-26-19-18(22-9-5-6-10-23-20(28)21(2,3)29)24-16-13-15(31-12-11-30-4)7-8-17(16)27(14)19/h7-8,13,29H,5-6,9-12H2,1-4H3,(H,22,24)(H,23,28)
• InChIKey: CQLDHTWODTVYHM-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 122.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.51
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[4-[[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]butyl]-2-methylpropanamide?

The IUPAC name of 2-hydroxy-N-[4-[[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]butyl]-2-methylpropanamide (CID 142406343) is 2-hydroxy-N-[4-[[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]butyl]-2-methylpropanamide.

What is the SMILES notation for 2-hydroxy-N-[4-[[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]butyl]-2-methylpropanamide?

The canonical SMILES for 2-hydroxy-N-[4-[[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]butyl]-2-methylpropanamide is COCCOc1ccc2c(c1)nc(NCCCCNC(=O)C(C)(C)O)c1nnc(C)n12.

What is the InChIKey of 2-hydroxy-N-[4-[[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]butyl]-2-methylpropanamide?

The InChIKey is CQLDHTWODTVYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O4/c1-14-25-26-19-18(22-9-5-6-10-23-20(28)21(2,3)29)24-16-13-15(31-12-11-30-4)7-8-17(16)27(14)19/h7-8,13,29H,5-6,9-12H2,1-4H3,(H,22,24)(H,23,28).

What are the key properties of 2-hydroxy-N-[4-[[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]butyl]-2-methylpropanamide?

2-hydroxy-N-[4-[[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]butyl]-2-methylpropanamide has a molecular weight of 430.51 g/mol, XLogP of 1.69, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-N-[4-[[7-(2-methoxyethoxy)-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]butyl]-2-methylpropanamide is sourced from PubChem (CID 142406343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).