4-(2-methylphenyl)-N-(3-phenylpropyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide

C26H23N5O — CID 118952806

IUPAC4-(2-methylphenyl)-N-(3-phenylpropyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCc1ccccc1-c1nc2ccc(C(=O)NCCCc3ccccc3)cc2n2cnnc12
InChIInChI=1S/C26H23N5O/c1-18-8-5-6-12-21(18)24-25-30-28-17-31(25)23-16-20(13-14-22(23)29-24)26(32)27-15-7-11-19-9-3-2-4-10-19/h2-6,8-10,12-14,16-17H,7,11,15H2,1H3,(H,27,32)
InChIKeyVBGGHKMWVSAUMJ-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.62
Rot. Bonds6

About 4-(2-methylphenyl)-N-(3-phenylpropyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide

4-(2-methylphenyl)-N-(3-phenylpropyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (PubChem CID 118952806) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-(2-methylphenyl)-N-(3-phenylpropyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.

Molecular Properties

Compound Name4-(2-methylphenyl)-N-(3-phenylpropyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
PubChem CID118952806
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name4-(2-methylphenyl)-N-(3-phenylpropyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCc1ccccc1-c1nc2ccc(C(=O)NCCCc3ccccc3)cc2n2cnnc12
InChIInChI=1S/C26H23N5O/c1-18-8-5-6-12-21(18)24-25-30-28-17-31(25)23-16-20(13-14-22(23)29-24)26(32)27-15-7-11-19-9-3-2-4-10-19/h2-6,8-10,12-14,16-17H,7,11,15H2,1H3,(H,27,32)
InChIKeyVBGGHKMWVSAUMJ-UHFFFAOYSA-N
XLogP4.62
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-acetamidophenyl)-3-oxo-N-(3-phenylpropyl)-4H-quinoxaline-6-carboxamide
CID 122176077
N-[2-(4-methylphenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide
CID 22432202
3-imidazo[4,5-b]pyridin-3-yl-4-methyl-N-(3-phenylpropyl)benzamide
CID 46277287
phenyl-[4-(propylamino)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methanone
CID 20921326
3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide
CID 27647029
4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109046799
2-methyl-6-(2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109373582
N-[2-(4-chlorophenyl)ethyl]-3-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)benzamide
CID 22432664
4-methyl-N-(4-phenylbutyl)-3-pyrrol-1-ylbenzamide
CID 18273813
4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984294
3-methoxy-2-methyl-N-(3-phenylpropyl)indazole-6-carboxamide
CID 90609146
3-[2-ethyl-5-(4-methoxyphenyl)triazol-4-yl]-N-(4-phenylbutyl)benzamide
CID 154641315

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-N-(3-phenylpropyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The IUPAC name of 4-(2-methylphenyl)-N-(3-phenylpropyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (CID 118952806) is 4-(2-methylphenyl)-N-(3-phenylpropyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.
What is the SMILES notation for 4-(2-methylphenyl)-N-(3-phenylpropyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The canonical SMILES for 4-(2-methylphenyl)-N-(3-phenylpropyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is Cc1ccccc1-c1nc2ccc(C(=O)NCCCc3ccccc3)cc2n2cnnc12.
What is the InChIKey of 4-(2-methylphenyl)-N-(3-phenylpropyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The InChIKey is VBGGHKMWVSAUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O/c1-18-8-5-6-12-21(18)24-25-30-28-17-31(25)23-16-20(13-14-22(23)29-24)26(32)27-15-7-11-19-9-3-2-4-10-19/h2-6,8-10,12-14,16-17H,7,11,15H2,1H3,(H,27,32).
What are the key properties of 4-(2-methylphenyl)-N-(3-phenylpropyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
4-(2-methylphenyl)-N-(3-phenylpropyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-N-(3-phenylpropyl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is sourced from PubChem (CID 118952806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).