N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide

C20H19ClN6O2 — CID 50787806

IUPACN-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cn1nc2c(N(C)C)nc3ccccc3n2c1=O
InChIInChI=1S/C20H19ClN6O2/c1-12-8-9-13(21)10-15(12)22-17(28)11-26-20(29)27-16-7-5-4-6-14(16)23-18(25(2)3)19(27)24-26/h4-10H,11H2,1-3H3,(H,22,28)
InChIKeyADXOXLKZQWUAQO-UHFFFAOYSA-N
MW410.87 g/mol
LogP2.71
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide

N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide (PubChem CID 50787806) has the molecular formula C20H19ClN6O2 and a molecular weight of 410.87 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
PubChem CID50787806
Molecular FormulaC20H19ClN6O2
Molecular Weight410.87 g/mol
Exact Mass410.13
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cn1nc2c(N(C)C)nc3ccccc3n2c1=O
InChIInChI=1S/C20H19ClN6O2/c1-12-8-9-13(21)10-15(12)22-17(28)11-26-20(29)27-16-7-5-4-6-14(16)23-18(25(2)3)19(27)24-26/h4-10H,11H2,1-3H3,(H,22,28)
InChIKeyADXOXLKZQWUAQO-UHFFFAOYSA-N
XLogP2.71
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.87
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide 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-(4-acetylphenyl)-2-[4-(dimethylamino)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 50787740
N-(2-methylphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 53028534
N-(5-chloro-2-methylphenyl)-2-[1,5-dioxo-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-2-yl]acetamide
CID 50769067
N-(5-chloro-2-methylphenyl)-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide
CID 50841395
N-(5-chloro-2-methylphenyl)-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]acetamide
CID 46284672
N-(5-chloro-2-methylphenyl)-2-[11-(4-methylphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]acetamide
CID 56685282
N-(3-chlorophenyl)-2-(1-oxo-4-phenylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 50786003
2-[4-(2,3-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 53028604
N-(5-chloro-2-methylphenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324339
N-(5-chloro-2-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 853101
N-(3,4-dimethylphenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 50787739
3-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129392

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide (CID 50787806) is N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide is Cc1ccc(Cl)cc1NC(=O)Cn1nc2c(N(C)C)nc3ccccc3n2c1=O.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide?
The InChIKey is ADXOXLKZQWUAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O2/c1-12-8-9-13(21)10-15(12)22-17(28)11-26-20(29)27-16-7-5-4-6-14(16)23-18(25(2)3)19(27)24-26/h4-10H,11H2,1-3H3,(H,22,28).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide?
N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide has a molecular weight of 410.87 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[4-(dimethylamino)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide is sourced from PubChem (CID 50787806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).