4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one

C21H15N5O2S — CID 51476599

IUPAC4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c2ccccc2N1
InChIInChI=1S/C21H15N5O2S/c27-18-13-25(16-10-5-4-9-15(16)22-18)21(28)19-23-20(17-11-6-12-29-17)26(24-19)14-7-2-1-3-8-14/h1-12H,13H2,(H,22,27)
InChIKeyRPNSKCVYLYSDGN-UHFFFAOYSA-N
MW401.45 g/mol
LogP3.59
Rot. Bonds3

About 4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one

4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 51476599) has the molecular formula C21H15N5O2S and a molecular weight of 401.45 g/mol. Its IUPAC name is 4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID51476599
Molecular FormulaC21H15N5O2S
Molecular Weight401.45 g/mol
Exact Mass401.09
IUPAC Name4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c2ccccc2N1
InChIInChI=1S/C21H15N5O2S/c27-18-13-25(16-10-5-4-9-15(16)22-18)21(28)19-23-20(17-11-6-12-29-17)26(24-19)14-7-2-1-3-8-14/h1-12H,13H2,(H,22,27)
InChIKeyRPNSKCVYLYSDGN-UHFFFAOYSA-N
XLogP3.59
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one with MolForge

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Launch Full Analysis

Related Compounds

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone
CID 42055114
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone
CID 120656744
(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17495791
methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 13411643
2-[4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]propanamide
CID 86953681
(3S)-1-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119174031
N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 99809348
N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 102556248
9-azabicyclo[6.2.0]decan-9-yl-(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)methanone
CID 166222292
4-[[4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 30701244
1-(4-fluorophenyl)-5-methyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-1,2,4-triazole-3-carboxamide
CID 55751191
methyl 4-phenyl-1-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)piperidine-4-carboxylate
CID 55514001

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 51476599) is 4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)c2ccccc2N1.
What is the InChIKey of 4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is RPNSKCVYLYSDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2S/c27-18-13-25(16-10-5-4-9-15(16)22-18)21(28)19-23-20(17-11-6-12-29-17)26(24-19)14-7-2-1-3-8-14/h1-12H,13H2,(H,22,27).
What are the key properties of 4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 401.45 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 51476599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).