1-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]pyrrolidin-2-one

C17H18N2O2S — CID 7743611

IUPAC1-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]pyrrolidin-2-one
SMILESCc1cc(SCC(=O)N2CCCC2=O)nc2c(C)cccc12
InChIInChI=1S/C17H18N2O2S/c1-11-5-3-6-13-12(2)9-14(18-17(11)13)22-10-16(21)19-8-4-7-15(19)20/h3,5-6,9H,4,7-8,10H2,1-2H3
InChIKeyIFDXMWZREUJALN-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.09
Rot. Bonds3

About 1-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]pyrrolidin-2-one

1-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]pyrrolidin-2-one (PubChem CID 7743611) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]pyrrolidin-2-one
PubChem CID7743611
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name1-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]pyrrolidin-2-one
SMILESCc1cc(SCC(=O)N2CCCC2=O)nc2c(C)cccc12
InChIInChI=1S/C17H18N2O2S/c1-11-5-3-6-13-12(2)9-14(18-17(11)13)22-10-16(21)19-8-4-7-15(19)20/h3,5-6,9H,4,7-8,10H2,1-2H3
InChIKeyIFDXMWZREUJALN-UHFFFAOYSA-N
XLogP3.09
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]pyrrolidin-2-one (CID 7743611) is 1-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]pyrrolidin-2-one is Cc1cc(SCC(=O)N2CCCC2=O)nc2c(C)cccc12.
What is the InChIKey of 1-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]pyrrolidin-2-one?
The InChIKey is IFDXMWZREUJALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-11-5-3-6-13-12(2)9-14(18-17(11)13)22-10-16(21)19-8-4-7-15(19)20/h3,5-6,9H,4,7-8,10H2,1-2H3.
What are the key properties of 1-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]pyrrolidin-2-one?
1-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]pyrrolidin-2-one has a molecular weight of 314.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]pyrrolidin-2-one is sourced from PubChem (CID 7743611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).