1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinolin-2-one

C18H22N2O2S — CID 3240943

IUPAC1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinolin-2-one
SMILESCCn1c(=O)cc(SCC(=O)N2CCCCC2)c2ccccc21
InChIInChI=1S/C18H22N2O2S/c1-2-20-15-9-5-4-8-14(15)16(12-17(20)21)23-13-18(22)19-10-6-3-7-11-19/h4-5,8-9,12H,2-3,6-7,10-11,13H2,1H3
InChIKeyVEJYZTFUCQYSMP-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.13
Rot. Bonds4

About 1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinolin-2-one

1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinolin-2-one (PubChem CID 3240943) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinolin-2-one.

Molecular Properties

Compound Name1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinolin-2-one
PubChem CID3240943
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinolin-2-one
SMILESCCn1c(=O)cc(SCC(=O)N2CCCCC2)c2ccccc21
InChIInChI=1S/C18H22N2O2S/c1-2-20-15-9-5-4-8-14(15)16(12-17(20)21)23-13-18(22)19-10-6-3-7-11-19/h4-5,8-9,12H,2-3,6-7,10-11,13H2,1H3
InChIKeyVEJYZTFUCQYSMP-UHFFFAOYSA-N
XLogP3.13
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinolin-2-one?
The IUPAC name of 1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinolin-2-one (CID 3240943) is 1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinolin-2-one.
What is the SMILES notation for 1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinolin-2-one?
The canonical SMILES for 1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinolin-2-one is CCn1c(=O)cc(SCC(=O)N2CCCCC2)c2ccccc21.
What is the InChIKey of 1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinolin-2-one?
The InChIKey is VEJYZTFUCQYSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-2-20-15-9-5-4-8-14(15)16(12-17(20)21)23-13-18(22)19-10-6-3-7-11-19/h4-5,8-9,12H,2-3,6-7,10-11,13H2,1H3.
What are the key properties of 1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinolin-2-one?
1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinolin-2-one has a molecular weight of 330.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinolin-2-one is sourced from PubChem (CID 3240943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).