2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

C24H27N3O3S — CID 656141

IUPAC2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESCCc1cc2cc(C)cc(C)c2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C24H27N3O3S/c1-4-18-14-19-13-16(2)12-17(3)22(19)25-23(18)31-15-21(28)26-7-9-27(10-8-26)24(29)20-6-5-11-30-20/h5-6,11-14H,4,7-10,15H2,1-3H3
InChIKeyWGWNMQXNLHKPPB-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.08
Rot. Bonds5

About 2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 656141) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID656141
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESCCc1cc2cc(C)cc(C)c2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C24H27N3O3S/c1-4-18-14-19-13-16(2)12-17(3)22(19)25-23(18)31-15-21(28)26-7-9-27(10-8-26)24(29)20-6-5-11-30-20/h5-6,11-14H,4,7-10,15H2,1-3H3
InChIKeyWGWNMQXNLHKPPB-UHFFFAOYSA-N
XLogP4.08
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (CID 656141) is 2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is CCc1cc2cc(C)cc(C)c2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is WGWNMQXNLHKPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-4-18-14-19-13-16(2)12-17(3)22(19)25-23(18)31-15-21(28)26-7-9-27(10-8-26)24(29)20-6-5-11-30-20/h5-6,11-14H,4,7-10,15H2,1-3H3.
What are the key properties of 2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 437.57 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-6,8-dimethylquinolin-2-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 656141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).