[2-(cyclopentylmethylsulfanyl)quinolin-3-yl]methanol

C16H19NOS — CID 63835635

IUPAC[2-(cyclopentylmethylsulfanyl)quinolin-3-yl]methanol
SMILESOCc1cc2ccccc2nc1SCC1CCCC1
InChIInChI=1S/C16H19NOS/c18-10-14-9-13-7-3-4-8-15(13)17-16(14)19-11-12-5-1-2-6-12/h3-4,7-9,12,18H,1-2,5-6,10-11H2
InChIKeyRNAUGJXFLHONOZ-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.01
Rot. Bonds4

About [2-(cyclopentylmethylsulfanyl)quinolin-3-yl]methanol

[2-(cyclopentylmethylsulfanyl)quinolin-3-yl]methanol (PubChem CID 63835635) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is [2-(cyclopentylmethylsulfanyl)quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-(cyclopentylmethylsulfanyl)quinolin-3-yl]methanol
PubChem CID63835635
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name[2-(cyclopentylmethylsulfanyl)quinolin-3-yl]methanol
SMILESOCc1cc2ccccc2nc1SCC1CCCC1
InChIInChI=1S/C16H19NOS/c18-10-14-9-13-7-3-4-8-15(13)17-16(14)19-11-12-5-1-2-6-12/h3-4,7-9,12,18H,1-2,5-6,10-11H2
InChIKeyRNAUGJXFLHONOZ-UHFFFAOYSA-N
XLogP4.01
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylmethylsulfanyl)quinolin-3-yl]methanol?
The IUPAC name of [2-(cyclopentylmethylsulfanyl)quinolin-3-yl]methanol (CID 63835635) is [2-(cyclopentylmethylsulfanyl)quinolin-3-yl]methanol.
What is the SMILES notation for [2-(cyclopentylmethylsulfanyl)quinolin-3-yl]methanol?
The canonical SMILES for [2-(cyclopentylmethylsulfanyl)quinolin-3-yl]methanol is OCc1cc2ccccc2nc1SCC1CCCC1.
What is the InChIKey of [2-(cyclopentylmethylsulfanyl)quinolin-3-yl]methanol?
The InChIKey is RNAUGJXFLHONOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c18-10-14-9-13-7-3-4-8-15(13)17-16(14)19-11-12-5-1-2-6-12/h3-4,7-9,12,18H,1-2,5-6,10-11H2.
What are the key properties of [2-(cyclopentylmethylsulfanyl)quinolin-3-yl]methanol?
[2-(cyclopentylmethylsulfanyl)quinolin-3-yl]methanol has a molecular weight of 273.40 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylmethylsulfanyl)quinolin-3-yl]methanol is sourced from PubChem (CID 63835635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).