3-[(2-methylquinolin-4-yl)methylsulfanyl]oxolan-2-one

C15H15NO2S — CID 166237006

IUPAC3-[(2-methylquinolin-4-yl)methylsulfanyl]oxolan-2-one
SMILESCc1cc(CSC2CCOC2=O)c2ccccc2n1
InChIInChI=1S/C15H15NO2S/c1-10-8-11(9-19-14-6-7-18-15(14)17)12-4-2-3-5-13(12)16-10/h2-5,8,14H,6-7,9H2,1H3
InChIKeyRKJVNNWIRKHDLA-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.09
Rot. Bonds3

About 3-[(2-methylquinolin-4-yl)methylsulfanyl]oxolan-2-one

3-[(2-methylquinolin-4-yl)methylsulfanyl]oxolan-2-one (PubChem CID 166237006) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-[(2-methylquinolin-4-yl)methylsulfanyl]oxolan-2-one.

Molecular Properties

Compound Name3-[(2-methylquinolin-4-yl)methylsulfanyl]oxolan-2-one
PubChem CID166237006
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name3-[(2-methylquinolin-4-yl)methylsulfanyl]oxolan-2-one
SMILESCc1cc(CSC2CCOC2=O)c2ccccc2n1
InChIInChI=1S/C15H15NO2S/c1-10-8-11(9-19-14-6-7-18-15(14)17)12-4-2-3-5-13(12)16-10/h2-5,8,14H,6-7,9H2,1H3
InChIKeyRKJVNNWIRKHDLA-UHFFFAOYSA-N
XLogP3.09
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylquinolin-4-yl)methylsulfanyl]oxolan-2-one?
The IUPAC name of 3-[(2-methylquinolin-4-yl)methylsulfanyl]oxolan-2-one (CID 166237006) is 3-[(2-methylquinolin-4-yl)methylsulfanyl]oxolan-2-one.
What is the SMILES notation for 3-[(2-methylquinolin-4-yl)methylsulfanyl]oxolan-2-one?
The canonical SMILES for 3-[(2-methylquinolin-4-yl)methylsulfanyl]oxolan-2-one is Cc1cc(CSC2CCOC2=O)c2ccccc2n1.
What is the InChIKey of 3-[(2-methylquinolin-4-yl)methylsulfanyl]oxolan-2-one?
The InChIKey is RKJVNNWIRKHDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-10-8-11(9-19-14-6-7-18-15(14)17)12-4-2-3-5-13(12)16-10/h2-5,8,14H,6-7,9H2,1H3.
What are the key properties of 3-[(2-methylquinolin-4-yl)methylsulfanyl]oxolan-2-one?
3-[(2-methylquinolin-4-yl)methylsulfanyl]oxolan-2-one has a molecular weight of 273.36 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 3-[(2-methylquinolin-4-yl)methylsulfanyl]oxolan-2-one is sourced from PubChem (CID 166237006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).