4-(pyridin-2-ylsulfanylmethyl)-1H-quinolin-2-one

C15H12N2OS — CID 713898

IUPAC4-(pyridin-2-ylsulfanylmethyl)-1H-quinolin-2-one
SMILESO=c1cc(CSc2ccccn2)c2ccccc2[nH]1
InChIInChI=1S/C15H12N2OS/c18-14-9-11(10-19-15-7-3-4-8-16-15)12-5-1-2-6-13(12)17-14/h1-9H,10H2,(H,17,18)
InChIKeyYJDHCEIHBRQESS-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.22
Rot. Bonds3

About 4-(pyridin-2-ylsulfanylmethyl)-1H-quinolin-2-one

4-(pyridin-2-ylsulfanylmethyl)-1H-quinolin-2-one (PubChem CID 713898) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-(pyridin-2-ylsulfanylmethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(pyridin-2-ylsulfanylmethyl)-1H-quinolin-2-one
PubChem CID713898
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name4-(pyridin-2-ylsulfanylmethyl)-1H-quinolin-2-one
SMILESO=c1cc(CSc2ccccn2)c2ccccc2[nH]1
InChIInChI=1S/C15H12N2OS/c18-14-9-11(10-19-15-7-3-4-8-16-15)12-5-1-2-6-13(12)17-14/h1-9H,10H2,(H,17,18)
InChIKeyYJDHCEIHBRQESS-UHFFFAOYSA-N
XLogP3.22
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylsulfanylmethyl)-1H-quinolin-2-one?
The IUPAC name of 4-(pyridin-2-ylsulfanylmethyl)-1H-quinolin-2-one (CID 713898) is 4-(pyridin-2-ylsulfanylmethyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-(pyridin-2-ylsulfanylmethyl)-1H-quinolin-2-one?
The canonical SMILES for 4-(pyridin-2-ylsulfanylmethyl)-1H-quinolin-2-one is O=c1cc(CSc2ccccn2)c2ccccc2[nH]1.
What is the InChIKey of 4-(pyridin-2-ylsulfanylmethyl)-1H-quinolin-2-one?
The InChIKey is YJDHCEIHBRQESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c18-14-9-11(10-19-15-7-3-4-8-16-15)12-5-1-2-6-13(12)17-14/h1-9H,10H2,(H,17,18).
What are the key properties of 4-(pyridin-2-ylsulfanylmethyl)-1H-quinolin-2-one?
4-(pyridin-2-ylsulfanylmethyl)-1H-quinolin-2-one has a molecular weight of 268.34 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylsulfanylmethyl)-1H-quinolin-2-one is sourced from PubChem (CID 713898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).