3-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-1,3-oxazolidin-2-one

C16H16N2O3S — CID 8883016

IUPAC3-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-1,3-oxazolidin-2-one
SMILESCc1cc(SCC(=O)N2CCOC2=O)nc2c(C)cccc12
InChIInChI=1S/C16H16N2O3S/c1-10-4-3-5-12-11(2)8-13(17-15(10)12)22-9-14(19)18-6-7-21-16(18)20/h3-5,8H,6-7,9H2,1-2H3
InChIKeyXFXVMHMVIRPRNT-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.92
Rot. Bonds3

About 3-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-1,3-oxazolidin-2-one

3-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-1,3-oxazolidin-2-one (PubChem CID 8883016) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-1,3-oxazolidin-2-one
PubChem CID8883016
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name3-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-1,3-oxazolidin-2-one
SMILESCc1cc(SCC(=O)N2CCOC2=O)nc2c(C)cccc12
InChIInChI=1S/C16H16N2O3S/c1-10-4-3-5-12-11(2)8-13(17-15(10)12)22-9-14(19)18-6-7-21-16(18)20/h3-5,8H,6-7,9H2,1-2H3
InChIKeyXFXVMHMVIRPRNT-UHFFFAOYSA-N
XLogP2.92
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-1,3-oxazolidin-2-one (CID 8883016) is 3-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-1,3-oxazolidin-2-one is Cc1cc(SCC(=O)N2CCOC2=O)nc2c(C)cccc12.
What is the InChIKey of 3-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-1,3-oxazolidin-2-one?
The InChIKey is XFXVMHMVIRPRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-10-4-3-5-12-11(2)8-13(17-15(10)12)22-9-14(19)18-6-7-21-16(18)20/h3-5,8H,6-7,9H2,1-2H3.
What are the key properties of 3-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-1,3-oxazolidin-2-one?
3-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-1,3-oxazolidin-2-one has a molecular weight of 316.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 8883016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).