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

C23H24FN5O2 — CID 46261192

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

5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-pentyl-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (PubChem CID 46261192) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-pentyl-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-pentyl-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
• PubChem CID: 46261192
• Molecular Formula: C23H24FN5O2
• Molecular Weight: 421.48 g/mol
• Exact Mass: 421.19
• IUPAC Name: 5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-pentyl-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
• SMILES: CCCCCNC(=O)c1nc2c(=O)n(Cc3cccc(F)c3)c3cc(C)ccc3n2n1
• InChI: InChI=1S/C23H24FN5O2/c1-3-4-5-11-25-22(30)20-26-21-23(31)28(14-16-7-6-8-17(24)13-16)19-12-15(2)9-10-18(19)29(21)27-20/h6-10,12-13H,3-5,11,14H2,1-2H3,(H,25,30)
• InChIKey: QWNNHJMUCNBKAZ-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 81.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.48
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-pentyl-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (CID 46261192) is 5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-pentyl-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.

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

The canonical SMILES for 5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-pentyl-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is CCCCCNC(=O)c1nc2c(=O)n(Cc3cccc(F)c3)c3cc(C)ccc3n2n1.

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

The InChIKey is QWNNHJMUCNBKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-3-4-5-11-25-22(30)20-26-21-23(31)28(14-16-7-6-8-17(24)13-16)19-12-15(2)9-10-18(19)29(21)27-20/h6-10,12-13H,3-5,11,14H2,1-2H3,(H,25,30).

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

5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-pentyl-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-pentyl-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is sourced from PubChem (CID 46261192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).