4-[2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one

C20H18N4O3S — CID 4825092

IUPAC4-[2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(-c2nnc(SCC(=O)N3CC(=O)Nc4ccccc43)o2)cc1C
InChIInChI=1S/C20H18N4O3S/c1-12-7-8-14(9-13(12)2)19-22-23-20(27-19)28-11-18(26)24-10-17(25)21-15-5-3-4-6-16(15)24/h3-9H,10-11H2,1-2H3,(H,21,25)
InChIKeyFQABWYDPDBJXEC-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.43
Rot. Bonds4

About 4-[2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 4825092) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is 4-[2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID4825092
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name4-[2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(-c2nnc(SCC(=O)N3CC(=O)Nc4ccccc43)o2)cc1C
InChIInChI=1S/C20H18N4O3S/c1-12-7-8-14(9-13(12)2)19-22-23-20(27-19)28-11-18(26)24-10-17(25)21-15-5-3-4-6-16(15)24/h3-9H,10-11H2,1-2H3,(H,21,25)
InChIKeyFQABWYDPDBJXEC-UHFFFAOYSA-N
XLogP3.43
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one with MolForge

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Launch Full Analysis

Related Compounds

dimethyl-[(1R)-1-[5-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]propyl]azanium
CID 8895790
4-[(2R)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 9307993
4-[2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 7877756
2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-phenylacetamide
CID 7805622
4-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 7257609
4-[2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 8934372
3-(3,4-dimethylphenyl)-2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylquinazolin-4-one
CID 2558311
4-[2-(2-bromophenyl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 27087539
4-[2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 71904968
N-[2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide
CID 7412445
1-[2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one
CID 9362147
4-[2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 55426407

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one (CID 4825092) is 4-[2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one is Cc1ccc(-c2nnc(SCC(=O)N3CC(=O)Nc4ccccc43)o2)cc1C.
What is the InChIKey of 4-[2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is FQABWYDPDBJXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-12-7-8-14(9-13(12)2)19-22-23-20(27-19)28-11-18(26)24-10-17(25)21-15-5-3-4-6-16(15)24/h3-9H,10-11H2,1-2H3,(H,21,25).
What are the key properties of 4-[2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 394.46 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 4825092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).