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

C19H17N5O2 — CID 22424827

IUPACN-(3,4-dimethylphenyl)-2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)c3nncn3c3ccccc32)cc1C
InChIInChI=1S/C19H17N5O2/c1-12-7-8-14(9-13(12)2)21-17(25)10-23-15-5-3-4-6-16(15)24-11-20-22-18(24)19(23)26/h3-9,11H,10H2,1-2H3,(H,21,25)
InChIKeyCKGNIHLLTAOTGC-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.30
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide (PubChem CID 22424827) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
PubChem CID22424827
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN-(3,4-dimethylphenyl)-2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2c(=O)c3nncn3c3ccccc32)cc1C
InChIInChI=1S/C19H17N5O2/c1-12-7-8-14(9-13(12)2)21-17(25)10-23-15-5-3-4-6-16(15)24-11-20-22-18(24)19(23)26/h3-9,11H,10H2,1-2H3,(H,21,25)
InChIKeyCKGNIHLLTAOTGC-UHFFFAOYSA-N
XLogP2.30
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 22424831
N-(3,4-dimethylphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
CID 22522524
N-(3,4-dimethylphenyl)-2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061560
methyl 2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetate
CID 95915705
N-(3,4-dimethylphenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
CID 45031629
N-(3,4-dimethylphenyl)-2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetamide
CID 17035867
2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(4-methylphenyl)acetamide
CID 53061500
N-(3,4-dimethylphenyl)-2-(2,4,5-trimethyl-6-oxopyrimidin-1-yl)acetamide
CID 53014423
2-[3-[acetyl(cyclohexyl)amino]-2-oxoquinoxalin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 53097859
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methyl-2-oxoquinoline-4-carboxamide
CID 50814276
2-(1-ethyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)-N-(4-methylphenyl)acetamide
CID 53061542

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide (CID 22424827) is N-(3,4-dimethylphenyl)-2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide is Cc1ccc(NC(=O)Cn2c(=O)c3nncn3c3ccccc32)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide?
The InChIKey is CKGNIHLLTAOTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-12-7-8-14(9-13(12)2)21-17(25)10-23-15-5-3-4-6-16(15)24-11-20-22-18(24)19(23)26/h3-9,11H,10H2,1-2H3,(H,21,25).
What are the key properties of N-(3,4-dimethylphenyl)-2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide?
N-(3,4-dimethylphenyl)-2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide has a molecular weight of 347.38 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide is sourced from PubChem (CID 22424827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).