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

C25H20ClN5O3 — CID 50820820

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

5-[(4-chlorophenyl)methyl]-N-(3-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (PubChem CID 50820820) has the molecular formula C25H20ClN5O3 and a molecular weight of 473.92 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-N-(3-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-chlorophenyl)methyl]-N-(3-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
• PubChem CID: 50820820
• Molecular Formula: C25H20ClN5O3
• Molecular Weight: 473.92 g/mol
• Exact Mass: 473.13
• IUPAC Name: 5-[(4-chlorophenyl)methyl]-N-(3-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
• SMILES: COc1cccc(NC(=O)c2nc3c(=O)n(Cc4ccc(Cl)cc4)c4cc(C)ccc4n3n2)c1
• InChI: InChI=1S/C25H20ClN5O3/c1-15-6-11-20-21(12-15)30(14-16-7-9-17(26)10-8-16)25(33)23-28-22(29-31(20)23)24(32)27-18-4-3-5-19(13-18)34-2/h3-13H,14H2,1-2H3,(H,27,32)
• InChIKey: DDJMLPZBWIZPDR-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.92
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[(4-chlorophenyl)methyl]-N-(3-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (CID 50820820) is 5-[(4-chlorophenyl)methyl]-N-(3-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.

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

The canonical SMILES for 5-[(4-chlorophenyl)methyl]-N-(3-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is COc1cccc(NC(=O)c2nc3c(=O)n(Cc4ccc(Cl)cc4)c4cc(C)ccc4n3n2)c1.

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

The InChIKey is DDJMLPZBWIZPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O3/c1-15-6-11-20-21(12-15)30(14-16-7-9-17(26)10-8-16)25(33)23-28-22(29-31(20)23)24(32)27-18-4-3-5-19(13-18)34-2/h3-13H,14H2,1-2H3,(H,27,32).

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

5-[(4-chlorophenyl)methyl]-N-(3-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide has a molecular weight of 473.92 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-chlorophenyl)methyl]-N-(3-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is sourced from PubChem (CID 50820820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).