2-(3-ethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

C22H23N3O3S — CID 647971

IUPAC2-(3-ethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESCCc1cc2ccccc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H23N3O3S/c1-2-16-14-17-6-3-4-7-18(17)23-21(16)29-15-20(26)24-9-11-25(12-10-24)22(27)19-8-5-13-28-19/h3-8,13-14H,2,9-12,15H2,1H3
InChIKeyNJYSCYPHBCFURR-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.47
Rot. Bonds5

About 2-(3-ethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

2-(3-ethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 647971) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-(3-ethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-ethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID647971
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name2-(3-ethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESCCc1cc2ccccc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H23N3O3S/c1-2-16-14-17-6-3-4-7-18(17)23-21(16)29-15-20(26)24-9-11-25(12-10-24)22(27)19-8-5-13-28-19/h3-8,13-14H,2,9-12,15H2,1H3
InChIKeyNJYSCYPHBCFURR-UHFFFAOYSA-N
XLogP3.47
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-ethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-Furyl[4-(2-methylquinolin-4-yl)piperazino]methanone
CID 2728457
Furan-2-carboxylic acid N'-[2-(3-ethyl-7-methyl-quinolin-2-ylsulfanyl)-acetyl]-hydrazide
CID 1440447
2-[4-(2-Furoyl)piperazine-1-yl]-N-[4-(2-methylthiazol-4-yl)phenyl]acetamide (5p)
CID 73443011
[3-Furan-2-ylmethyl-6-methyl-3,4-dihydro-1-thia-3,9-diaza-anthracen-(2E)-ylidene]-(tetrahydro-furan-2-ylmethyl)-amine
CID 646394
2-(3-Ethyl-8-methyl-quinolin-2-ylsulfanyl)-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 647243
2-(7-Ethyl-[1,3]dioxolo[4,5-g]quinolin-6-ylsulfanyl)-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 651100
2-(3-Cyano-7-methyl-quinolin-2-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 651442
2-[(3-cyano-5,7-dimethyl-2-quinolinyl)thio]-N-(2-furanylmethyl)acetamide
CID 653760
2-(3-Ethyl-6,8-dimethyl-quinolin-2-ylsulfanyl)-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 656141
N''-[2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide
CID 1176167
2-(3-Bromophenyl)-4-{[4-(2-furoyl)-1-piperazinyl]carbonyl}-8-methylquinoline
CID 2221283
(4-Ethylpiperazin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone
CID 2421019

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-ethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (CID 647971) is 2-(3-ethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-ethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-ethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is CCc1cc2ccccc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-(3-ethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is NJYSCYPHBCFURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-2-16-14-17-6-3-4-7-18(17)23-21(16)29-15-20(26)24-9-11-25(12-10-24)22(27)19-8-5-13-28-19/h3-8,13-14H,2,9-12,15H2,1H3.
What are the key properties of 2-(3-ethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
2-(3-ethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 409.51 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 647971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).