3-(methylsulfanylmethyl)-1-phenylquinolin-2-one

C17H15NOS — CID 19021643

IUPAC3-(methylsulfanylmethyl)-1-phenylquinolin-2-one
SMILESCSCc1cc2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C17H15NOS/c1-20-12-14-11-13-7-5-6-10-16(13)18(17(14)19)15-8-3-2-4-9-15/h2-11H,12H2,1H3
InChIKeyOLSLOGZVVCZHOL-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.85
Rot. Bonds3

About 3-(methylsulfanylmethyl)-1-phenylquinolin-2-one

3-(methylsulfanylmethyl)-1-phenylquinolin-2-one (PubChem CID 19021643) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)-1-phenylquinolin-2-one.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)-1-phenylquinolin-2-one
PubChem CID19021643
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Name3-(methylsulfanylmethyl)-1-phenylquinolin-2-one
SMILESCSCc1cc2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C17H15NOS/c1-20-12-14-11-13-7-5-6-10-16(13)18(17(14)19)15-8-3-2-4-9-15/h2-11H,12H2,1H3
InChIKeyOLSLOGZVVCZHOL-UHFFFAOYSA-N
XLogP3.85
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)-1-phenylquinolin-2-one?
The IUPAC name of 3-(methylsulfanylmethyl)-1-phenylquinolin-2-one (CID 19021643) is 3-(methylsulfanylmethyl)-1-phenylquinolin-2-one.
What is the SMILES notation for 3-(methylsulfanylmethyl)-1-phenylquinolin-2-one?
The canonical SMILES for 3-(methylsulfanylmethyl)-1-phenylquinolin-2-one is CSCc1cc2ccccc2n(-c2ccccc2)c1=O.
What is the InChIKey of 3-(methylsulfanylmethyl)-1-phenylquinolin-2-one?
The InChIKey is OLSLOGZVVCZHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS/c1-20-12-14-11-13-7-5-6-10-16(13)18(17(14)19)15-8-3-2-4-9-15/h2-11H,12H2,1H3.
What are the key properties of 3-(methylsulfanylmethyl)-1-phenylquinolin-2-one?
3-(methylsulfanylmethyl)-1-phenylquinolin-2-one has a molecular weight of 281.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)-1-phenylquinolin-2-one is sourced from PubChem (CID 19021643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).