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

C25H26ClN5O2 — CID 46377750

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

5-[(3-chlorophenyl)methyl]-N-cycloheptyl-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (PubChem CID 46377750) has the molecular formula C25H26ClN5O2 and a molecular weight of 463.97 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-N-cycloheptyl-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(3-chlorophenyl)methyl]-N-cycloheptyl-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
• PubChem CID: 46377750
• Molecular Formula: C25H26ClN5O2
• Molecular Weight: 463.97 g/mol
• Exact Mass: 463.18
• IUPAC Name: 5-[(3-chlorophenyl)methyl]-N-cycloheptyl-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
• SMILES: Cc1ccc2c(c1)n(Cc1cccc(Cl)c1)c(=O)c1nc(C(=O)NC3CCCCCC3)nn12
• InChI: InChI=1S/C25H26ClN5O2/c1-16-11-12-20-21(13-16)30(15-17-7-6-8-18(26)14-17)25(33)23-28-22(29-31(20)23)24(32)27-19-9-4-2-3-5-10-19/h6-8,11-14,19H,2-5,9-10,15H2,1H3,(H,27,32)
• InChIKey: MKBMXNASZBEXEX-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 81.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.97
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[(3-chlorophenyl)methyl]-N-cycloheptyl-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (CID 46377750) is 5-[(3-chlorophenyl)methyl]-N-cycloheptyl-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.

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

The canonical SMILES for 5-[(3-chlorophenyl)methyl]-N-cycloheptyl-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is Cc1ccc2c(c1)n(Cc1cccc(Cl)c1)c(=O)c1nc(C(=O)NC3CCCCCC3)nn12.

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

The InChIKey is MKBMXNASZBEXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O2/c1-16-11-12-20-21(13-16)30(15-17-7-6-8-18(26)14-17)25(33)23-28-22(29-31(20)23)24(32)27-19-9-4-2-3-5-10-19/h6-8,11-14,19H,2-5,9-10,15H2,1H3,(H,27,32).

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

5-[(3-chlorophenyl)methyl]-N-cycloheptyl-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide has a molecular weight of 463.97 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-chlorophenyl)methyl]-N-cycloheptyl-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is sourced from PubChem (CID 46377750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).