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

C13H15NO2S — CID 55240821

IUPAC[2-(2-methoxyethylsulfanyl)quinolin-3-yl]methanol
SMILESCOCCSc1nc2ccccc2cc1CO
InChIInChI=1S/C13H15NO2S/c1-16-6-7-17-13-11(9-15)8-10-4-2-3-5-12(10)14-13/h2-5,8,15H,6-7,9H2,1H3
InChIKeyLDBMBCMFGRTSMA-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.47
Rot. Bonds5

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

[2-(2-methoxyethylsulfanyl)quinolin-3-yl]methanol (PubChem CID 55240821) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is [2-(2-methoxyethylsulfanyl)quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-(2-methoxyethylsulfanyl)quinolin-3-yl]methanol
PubChem CID55240821
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC Name[2-(2-methoxyethylsulfanyl)quinolin-3-yl]methanol
SMILESCOCCSc1nc2ccccc2cc1CO
InChIInChI=1S/C13H15NO2S/c1-16-6-7-17-13-11(9-15)8-10-4-2-3-5-12(10)14-13/h2-5,8,15H,6-7,9H2,1H3
InChIKeyLDBMBCMFGRTSMA-UHFFFAOYSA-N
XLogP2.47
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylsulfanyl)quinolin-3-yl]methanol?
The IUPAC name of [2-(2-methoxyethylsulfanyl)quinolin-3-yl]methanol (CID 55240821) is [2-(2-methoxyethylsulfanyl)quinolin-3-yl]methanol.
What is the SMILES notation for [2-(2-methoxyethylsulfanyl)quinolin-3-yl]methanol?
The canonical SMILES for [2-(2-methoxyethylsulfanyl)quinolin-3-yl]methanol is COCCSc1nc2ccccc2cc1CO.
What is the InChIKey of [2-(2-methoxyethylsulfanyl)quinolin-3-yl]methanol?
The InChIKey is LDBMBCMFGRTSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-16-6-7-17-13-11(9-15)8-10-4-2-3-5-12(10)14-13/h2-5,8,15H,6-7,9H2,1H3.
What are the key properties of [2-(2-methoxyethylsulfanyl)quinolin-3-yl]methanol?
[2-(2-methoxyethylsulfanyl)quinolin-3-yl]methanol has a molecular weight of 249.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylsulfanyl)quinolin-3-yl]methanol is sourced from PubChem (CID 55240821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).