5-(phenylsulfanylmethyl)quinolin-8-ol

C16H13NOS — CID 786866

IUPAC5-(phenylsulfanylmethyl)quinolin-8-ol
SMILESOc1ccc(CSc2ccccc2)c2cccnc12
InChIInChI=1S/C16H13NOS/c18-15-9-8-12(14-7-4-10-17-16(14)15)11-19-13-5-2-1-3-6-13/h1-10,18H,11H2
InChIKeyUINKKCFSZHIWED-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.23
Rot. Bonds3

About 5-(phenylsulfanylmethyl)quinolin-8-ol

5-(phenylsulfanylmethyl)quinolin-8-ol (PubChem CID 786866) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 5-(phenylsulfanylmethyl)quinolin-8-ol.

Molecular Properties

Compound Name5-(phenylsulfanylmethyl)quinolin-8-ol
PubChem CID786866
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name5-(phenylsulfanylmethyl)quinolin-8-ol
SMILESOc1ccc(CSc2ccccc2)c2cccnc12
InChIInChI=1S/C16H13NOS/c18-15-9-8-12(14-7-4-10-17-16(14)15)11-19-13-5-2-1-3-6-13/h1-10,18H,11H2
InChIKeyUINKKCFSZHIWED-UHFFFAOYSA-N
XLogP4.23
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(phenylsulfanylmethyl)quinolin-8-ol?
The IUPAC name of 5-(phenylsulfanylmethyl)quinolin-8-ol (CID 786866) is 5-(phenylsulfanylmethyl)quinolin-8-ol.
What is the SMILES notation for 5-(phenylsulfanylmethyl)quinolin-8-ol?
The canonical SMILES for 5-(phenylsulfanylmethyl)quinolin-8-ol is Oc1ccc(CSc2ccccc2)c2cccnc12.
What is the InChIKey of 5-(phenylsulfanylmethyl)quinolin-8-ol?
The InChIKey is UINKKCFSZHIWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c18-15-9-8-12(14-7-4-10-17-16(14)15)11-19-13-5-2-1-3-6-13/h1-10,18H,11H2.
What are the key properties of 5-(phenylsulfanylmethyl)quinolin-8-ol?
5-(phenylsulfanylmethyl)quinolin-8-ol has a molecular weight of 267.35 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylsulfanylmethyl)quinolin-8-ol is sourced from PubChem (CID 786866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).