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

C26H23N5O4 — CID 50820769

IUPAC5-benzyl-N-(3,4-dimethoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nc3c(=O)n(Cc4ccccc4)c4cc(C)ccc4n3n2)cc1OC
InChIInChI=1S/C26H23N5O4/c1-16-9-11-19-20(13-16)30(15-17-7-5-4-6-8-17)26(33)24-28-23(29-31(19)24)25(32)27-18-10-12-21(34-2)22(14-18)35-3/h4-14H,15H2,1-3H3,(H,27,32)
InChIKeyFHFBIGBKKBJTHS-UHFFFAOYSA-N
MW469.50 g/mol
LogP3.67
Rot. Bonds6

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

5-benzyl-N-(3,4-dimethoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (PubChem CID 50820769) has the molecular formula C26H23N5O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is 5-benzyl-N-(3,4-dimethoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-(3,4-dimethoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
PubChem CID50820769
Molecular FormulaC26H23N5O4
Molecular Weight469.50 g/mol
Exact Mass469.18
IUPAC Name5-benzyl-N-(3,4-dimethoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nc3c(=O)n(Cc4ccccc4)c4cc(C)ccc4n3n2)cc1OC
InChIInChI=1S/C26H23N5O4/c1-16-9-11-19-20(13-16)30(15-17-7-5-4-6-8-17)26(33)24-28-23(29-31(19)24)25(32)27-18-10-12-21(34-2)22(14-18)35-3/h4-14H,15H2,1-3H3,(H,27,32)
InChIKeyFHFBIGBKKBJTHS-UHFFFAOYSA-N
XLogP3.67
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(3-chlorophenyl)methyl]-N-(2-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820672
5-[(4-chlorophenyl)methyl]-N-(3-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820820
N-(3-chlorophenyl)-7-methyl-5-[(4-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820800
N-(3-fluorophenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50821009
N-(3,4-dimethylphenyl)-7-methyl-5-[(2-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820591
N-(3-fluorophenyl)-7-methyl-5-[(4-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820609
N-(3-acetylphenyl)-5-[(3-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 46377761
N-(4-ethylphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820994
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-[(2-chlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 46377748
5-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-N-(3-phenylpropyl)-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 53039112
ethyl 4-[[7-methyl-5-[(2-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carbonyl]amino]benzoate
CID 50820902

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(3,4-dimethoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The IUPAC name of 5-benzyl-N-(3,4-dimethoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (CID 50820769) is 5-benzyl-N-(3,4-dimethoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.
What is the SMILES notation for 5-benzyl-N-(3,4-dimethoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The canonical SMILES for 5-benzyl-N-(3,4-dimethoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is COc1ccc(NC(=O)c2nc3c(=O)n(Cc4ccccc4)c4cc(C)ccc4n3n2)cc1OC.
What is the InChIKey of 5-benzyl-N-(3,4-dimethoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The InChIKey is FHFBIGBKKBJTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4/c1-16-9-11-19-20(13-16)30(15-17-7-5-4-6-8-17)26(33)24-28-23(29-31(19)24)25(32)27-18-10-12-21(34-2)22(14-18)35-3/h4-14H,15H2,1-3H3,(H,27,32).
What are the key properties of 5-benzyl-N-(3,4-dimethoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
5-benzyl-N-(3,4-dimethoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide has a molecular weight of 469.50 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(3,4-dimethoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is sourced from PubChem (CID 50820769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).