1-(2,6-dichlorophenyl)-N-ethyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide

C19H15Cl2N5O — CID 71153238

IUPAC1-(2,6-dichlorophenyl)-N-ethyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCCNC(=O)c1ccc2nc(C)c3nnc(-c4c(Cl)cccc4Cl)n3c2c1
InChIInChI=1S/C19H15Cl2N5O/c1-3-22-19(27)11-7-8-14-15(9-11)26-17(10(2)23-14)24-25-18(26)16-12(20)5-4-6-13(16)21/h4-9H,3H2,1-2H3,(H,22,27)
InChIKeyURLXPSUXGAGTAF-UHFFFAOYSA-N
MW400.27 g/mol
LogP4.31
Rot. Bonds3

About 1-(2,6-dichlorophenyl)-N-ethyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide

1-(2,6-dichlorophenyl)-N-ethyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (PubChem CID 71153238) has the molecular formula C19H15Cl2N5O and a molecular weight of 400.27 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-ethyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-ethyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
PubChem CID71153238
Molecular FormulaC19H15Cl2N5O
Molecular Weight400.27 g/mol
Exact Mass399.07
IUPAC Name1-(2,6-dichlorophenyl)-N-ethyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCCNC(=O)c1ccc2nc(C)c3nnc(-c4c(Cl)cccc4Cl)n3c2c1
InChIInChI=1S/C19H15Cl2N5O/c1-3-22-19(27)11-7-8-14-15(9-11)26-17(10(2)23-14)24-25-18(26)16-12(20)5-4-6-13(16)21/h4-9H,3H2,1-2H3,(H,22,27)
InChIKeyURLXPSUXGAGTAF-UHFFFAOYSA-N
XLogP4.31
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.27
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,6-dichlorophenyl)-N-ethyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide with MolForge

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Related Compounds

N-(1-adamantyl)-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 137349269
N-Benzyl-4-Methyl-1-Phenyl[1,2,4]triazolo[4,3-A]quinoxaline-8-Carboxamide
CID 71153223
1-(2-chlorophenyl)-N,4-dimethyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153303
1-[(2,4-dichlorophenyl)methyl]-N-[(1R)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 44132175
N-benzyl-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71152297
1-(2-chlorophenyl)-N-ethyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153309
1-(2-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153321
1-(2-chlorophenyl)-4-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 71153330
N-[(2-chlorophenyl)methyl]-1-(3-methylphenyl)-1H-1,3-benzodiazole-5-carboxamide
CID 3614184
N-tert-butyl-1-(2-chloro-5-fluorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 145950130
N-tert-butyl-1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 145953369
1-(2-chloro-5-fluorophenyl)-4-methyl-N-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
CID 145955298

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-ethyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-ethyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (CID 71153238) is 1-(2,6-dichlorophenyl)-N-ethyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-ethyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-ethyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is CCNC(=O)c1ccc2nc(C)c3nnc(-c4c(Cl)cccc4Cl)n3c2c1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-ethyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The InChIKey is URLXPSUXGAGTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N5O/c1-3-22-19(27)11-7-8-14-15(9-11)26-17(10(2)23-14)24-25-18(26)16-12(20)5-4-6-13(16)21/h4-9H,3H2,1-2H3,(H,22,27).
What are the key properties of 1-(2,6-dichlorophenyl)-N-ethyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
1-(2,6-dichlorophenyl)-N-ethyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide has a molecular weight of 400.27 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-ethyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is sourced from PubChem (CID 71153238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).