1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

C18H18N4OS2 — CID 653310

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1cccs1
InChIInChI=1S/C18H18N4OS2/c1-21-17(15-9-5-11-24-15)19-20-18(21)25-12-16(23)22-10-4-7-13-6-2-3-8-14(13)22/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3
InChIKeyUUFYEEMKDFCUPC-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.62
Rot. Bonds4

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone (PubChem CID 653310) has the molecular formula C18H18N4OS2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
PubChem CID653310
Molecular FormulaC18H18N4OS2
Molecular Weight370.50 g/mol
Exact Mass370.09
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1cccs1
InChIInChI=1S/C18H18N4OS2/c1-21-17(15-9-5-11-24-15)19-20-18(21)25-12-16(23)22-10-4-7-13-6-2-3-8-14(13)22/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3
InChIKeyUUFYEEMKDFCUPC-UHFFFAOYSA-N
XLogP3.62
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide
CID 2430859
N-(2,3-dihydro-1H-inden-5-yl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 1046062
2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(5-methylthiophen-2-yl)methylidene]acetohydrazide
CID 6885889
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-[5-(4,6-dimethyl-pyrimidin-2-ylsulfanylmethyl)-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-ethanone
CID 654672
2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 1081370
2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 2394755
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-(5-phenyl-thiazolo[2,3-c][1,2,4]triazol-3-ylsulfanyl)-ethanone
CID 651249
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone
CID 651431
2-[[4-(4-Methylphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 974211
2-((5-Methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)-N-(thiophen-2-ylmethyl)acetamide
CID 1184257
2-(4-Methyl-[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 1374077
2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 1928808

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone (CID 653310) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is Cn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1cccs1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The InChIKey is UUFYEEMKDFCUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS2/c1-21-17(15-9-5-11-24-15)19-20-18(21)25-12-16(23)22-10-4-7-13-6-2-3-8-14(13)22/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone has a molecular weight of 370.50 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is sourced from PubChem (CID 653310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).