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

C26H22FN5O4 — CID 50820980

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

N-(2,4-dimethoxyphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (PubChem CID 50820980) has the molecular formula C26H22FN5O4 and a molecular weight of 487.49 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.

Molecular Properties

• Compound Name: N-(2,4-dimethoxyphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
• PubChem CID: 50820980
• Molecular Formula: C26H22FN5O4
• Molecular Weight: 487.49 g/mol
• Exact Mass: 487.17
• IUPAC Name: N-(2,4-dimethoxyphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
• SMILES: COc1ccc(NC(=O)c2nc3c(=O)n(Cc4cccc(F)c4)c4cc(C)ccc4n3n2)c(OC)c1
• InChI: InChI=1S/C26H22FN5O4/c1-15-7-10-20-21(11-15)31(14-16-5-4-6-17(27)12-16)26(34)24-29-23(30-32(20)24)25(33)28-19-9-8-18(35-2)13-22(19)36-3/h4-13H,14H2,1-3H3,(H,28,33)
• InChIKey: PKDIATZTICBVAM-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 99.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.49
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(2,4-dimethoxyphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (CID 50820980) is N-(2,4-dimethoxyphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.

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

The canonical SMILES for N-(2,4-dimethoxyphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is COc1ccc(NC(=O)c2nc3c(=O)n(Cc4cccc(F)c4)c4cc(C)ccc4n3n2)c(OC)c1.

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

The InChIKey is PKDIATZTICBVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O4/c1-15-7-10-20-21(11-15)31(14-16-5-4-6-17(27)12-16)26(34)24-29-23(30-32(20)24)25(33)28-19-9-8-18(35-2)13-22(19)36-3/h4-13H,14H2,1-3H3,(H,28,33).

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

N-(2,4-dimethoxyphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide has a molecular weight of 487.49 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dimethoxyphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is sourced from PubChem (CID 50820980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).