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

C17H15NO2S — CID 19021632

IUPAC3-(methylsulfinylmethyl)-1-phenylquinolin-2-one
SMILESCS(=O)Cc1cc2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C17H15NO2S/c1-21(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
InChIKeyCEMABYCWZVEIBU-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.87
Rot. Bonds3

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

3-(methylsulfinylmethyl)-1-phenylquinolin-2-one (PubChem CID 19021632) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-(methylsulfinylmethyl)-1-phenylquinolin-2-one.

Molecular Properties

Compound Name3-(methylsulfinylmethyl)-1-phenylquinolin-2-one
PubChem CID19021632
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name3-(methylsulfinylmethyl)-1-phenylquinolin-2-one
SMILESCS(=O)Cc1cc2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C17H15NO2S/c1-21(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
InChIKeyCEMABYCWZVEIBU-UHFFFAOYSA-N
XLogP2.87
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfinylmethyl)-1-phenylquinolin-2-one?
The IUPAC name of 3-(methylsulfinylmethyl)-1-phenylquinolin-2-one (CID 19021632) is 3-(methylsulfinylmethyl)-1-phenylquinolin-2-one.
What is the SMILES notation for 3-(methylsulfinylmethyl)-1-phenylquinolin-2-one?
The canonical SMILES for 3-(methylsulfinylmethyl)-1-phenylquinolin-2-one is CS(=O)Cc1cc2ccccc2n(-c2ccccc2)c1=O.
What is the InChIKey of 3-(methylsulfinylmethyl)-1-phenylquinolin-2-one?
The InChIKey is CEMABYCWZVEIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-21(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-(methylsulfinylmethyl)-1-phenylquinolin-2-one?
3-(methylsulfinylmethyl)-1-phenylquinolin-2-one has a molecular weight of 297.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfinylmethyl)-1-phenylquinolin-2-one is sourced from PubChem (CID 19021632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).