N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide

C23H24N6O4S — CID 50787712

IUPACN-(2,5-dimethoxyphenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2nc3c(N4CCSCC4)nc4ccccc4n3c2=O)c1
InChIInChI=1S/C23H24N6O4S/c1-32-15-7-8-19(33-2)17(13-15)24-20(30)14-28-23(31)29-18-6-4-3-5-16(18)25-21(22(29)26-28)27-9-11-34-12-10-27/h3-8,13H,9-12,14H2,1-2H3,(H,24,30)
InChIKeyYFWNDVSVLVQFSN-UHFFFAOYSA-N
MW480.55 g/mol
LogP2.25
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide

N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide (PubChem CID 50787712) has the molecular formula C23H24N6O4S and a molecular weight of 480.55 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
PubChem CID50787712
Molecular FormulaC23H24N6O4S
Molecular Weight480.55 g/mol
Exact Mass480.16
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2nc3c(N4CCSCC4)nc4ccccc4n3c2=O)c1
InChIInChI=1S/C23H24N6O4S/c1-32-15-7-8-19(33-2)17(13-15)24-20(30)14-28-23(31)29-18-6-4-3-5-16(18)25-21(22(29)26-28)27-9-11-34-12-10-27/h3-8,13H,9-12,14H2,1-2H3,(H,24,30)
InChIKeyYFWNDVSVLVQFSN-UHFFFAOYSA-N
XLogP2.25
TPSA102.99 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 53028554
N-(3,4-dimethylphenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 50787739
N-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 53028451
N-(2,5-dimethoxyphenyl)-2-[4-(2,3-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 53028602
N-(3-chlorophenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 50787789
N-(2-ethoxyphenyl)-2-(1-oxo-4-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 50787693
N-(2-ethoxyphenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 50787725
ethyl 1-[2-[2-(4-methylanilino)-2-oxoethyl]-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]piperidine-4-carboxylate
CID 45499343
ethyl 1-[2-[2-(3-methylanilino)-2-oxoethyl]-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]piperidine-4-carboxylate
CID 45499342
N-(2,5-dimethoxyphenyl)-2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)acetamide
CID 121116983
2-[4-(3-methoxyphenyl)sulfanyl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-phenylacetamide
CID 50785881
ethyl 1-[2-[2-(4-cyanoanilino)-2-oxoethyl]-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]piperidine-4-carboxylate
CID 50787675

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide (CID 50787712) is N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide is COc1ccc(OC)c(NC(=O)Cn2nc3c(N4CCSCC4)nc4ccccc4n3c2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?
The InChIKey is YFWNDVSVLVQFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4S/c1-32-15-7-8-19(33-2)17(13-15)24-20(30)14-28-23(31)29-18-6-4-3-5-16(18)25-21(22(29)26-28)27-9-11-34-12-10-27/h3-8,13H,9-12,14H2,1-2H3,(H,24,30).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?
N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide has a molecular weight of 480.55 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide is sourced from PubChem (CID 50787712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).