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

C25H20ClN5O3 — CID 50820672

IUPAC5-[(3-chlorophenyl)methyl]-N-(2-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1nc2c(=O)n(Cc3cccc(Cl)c3)c3cc(C)ccc3n2n1
InChIInChI=1S/C25H20ClN5O3/c1-15-10-11-19-20(12-15)30(14-16-6-5-7-17(26)13-16)25(33)23-28-22(29-31(19)23)24(32)27-18-8-3-4-9-21(18)34-2/h3-13H,14H2,1-2H3,(H,27,32)
InChIKeyAKIGDHVWDJEYGR-UHFFFAOYSA-N
MW473.92 g/mol
LogP4.32
Rot. Bonds5

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

5-[(3-chlorophenyl)methyl]-N-(2-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (PubChem CID 50820672) has the molecular formula C25H20ClN5O3 and a molecular weight of 473.92 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-N-(2-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-N-(2-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
PubChem CID50820672
Molecular FormulaC25H20ClN5O3
Molecular Weight473.92 g/mol
Exact Mass473.13
IUPAC Name5-[(3-chlorophenyl)methyl]-N-(2-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1nc2c(=O)n(Cc3cccc(Cl)c3)c3cc(C)ccc3n2n1
InChIInChI=1S/C25H20ClN5O3/c1-15-10-11-19-20(12-15)30(14-16-6-5-7-17(26)13-16)25(33)23-28-22(29-31(19)23)24(32)27-18-8-3-4-9-21(18)34-2/h3-13H,14H2,1-2H3,(H,27,32)
InChIKeyAKIGDHVWDJEYGR-UHFFFAOYSA-N
XLogP4.32
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.92
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetylphenyl)-5-[(3-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 46377761
N-(2,4-dimethoxyphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820980
5-benzyl-N-(3,4-dimethoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820769
N-(3-chlorophenyl)-7-methyl-5-[(4-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820800
5-[(4-chlorophenyl)methyl]-N-(3-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820820
5-[(4-chlorophenyl)methyl]-N-(2-ethylphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 46377690
5-[(3-chlorophenyl)methyl]-N-cycloheptyl-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 46377750
N-(3-fluorophenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50821009
5-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-N-(3-phenylpropyl)-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 53039112
N-(4-ethylphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820994
5-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 46261177
5-[(4-chlorophenyl)methyl]-7-methyl-N-[(2-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 53039113

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-N-(2-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-N-(2-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (CID 50820672) is 5-[(3-chlorophenyl)methyl]-N-(2-methoxyphenyl)-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-(2-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-N-(2-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is COc1ccccc1NC(=O)c1nc2c(=O)n(Cc3cccc(Cl)c3)c3cc(C)ccc3n2n1.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-N-(2-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The InChIKey is AKIGDHVWDJEYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O3/c1-15-10-11-19-20(12-15)30(14-16-6-5-7-17(26)13-16)25(33)23-28-22(29-31(19)23)24(32)27-18-8-3-4-9-21(18)34-2/h3-13H,14H2,1-2H3,(H,27,32).
What are the key properties of 5-[(3-chlorophenyl)methyl]-N-(2-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
5-[(3-chlorophenyl)methyl]-N-(2-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-[(3-chlorophenyl)methyl]-N-(2-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is sourced from PubChem (CID 50820672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).