3-(3-ethylsulfanylpropoxy)quinoline

C14H17NOS — CID 102847017

IUPAC3-(3-ethylsulfanylpropoxy)quinoline
SMILESCCSCCCOc1cnc2ccccc2c1
InChIInChI=1S/C14H17NOS/c1-2-17-9-5-8-16-13-10-12-6-3-4-7-14(12)15-11-13/h3-4,6-7,10-11H,2,5,8-9H2,1H3
InChIKeyDRGCNOAFKOUSPY-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.76
Rot. Bonds6

About 3-(3-ethylsulfanylpropoxy)quinoline

3-(3-ethylsulfanylpropoxy)quinoline (PubChem CID 102847017) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 3-(3-ethylsulfanylpropoxy)quinoline.

Molecular Properties

Compound Name3-(3-ethylsulfanylpropoxy)quinoline
PubChem CID102847017
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name3-(3-ethylsulfanylpropoxy)quinoline
SMILESCCSCCCOc1cnc2ccccc2c1
InChIInChI=1S/C14H17NOS/c1-2-17-9-5-8-16-13-10-12-6-3-4-7-14(12)15-11-13/h3-4,6-7,10-11H,2,5,8-9H2,1H3
InChIKeyDRGCNOAFKOUSPY-UHFFFAOYSA-N
XLogP3.76
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Methoxyquinoline
CID 14860
8-Acetoxyquinoline
CID 75777
8-Methoxyquinoline
CID 70310
8-Ethoxyquinoline
CID 73781
6-Methoxy-4-methylquinoline
CID 258761
4-Methoxyquinoline
CID 521938
6-Butyl-8-[1-(3-tert-butylsulfonylpropyl)piperidin-4-yl]oxyquinoline
CID 25190195
3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-quinoline
CID 44372369
6-Butyl-8-[1-(3-propan-2-ylsulfonylpropyl)piperidin-4-yl]oxyquinoline;dihydrochloride
CID 137662184
8-Methoxyquinolin-4-amine
CID 16767485
6-Butyl-8-[1-(3-propylsulfonylpropyl)piperidin-4-yl]oxyquinoline;dihydrochloride
CID 137647842
6-Butyl-8-[1-(3-ethylsulfonylpropyl)piperidin-4-yl]oxyquinoline;dihydrochloride
CID 137659034

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfanylpropoxy)quinoline?
The IUPAC name of 3-(3-ethylsulfanylpropoxy)quinoline (CID 102847017) is 3-(3-ethylsulfanylpropoxy)quinoline.
What is the SMILES notation for 3-(3-ethylsulfanylpropoxy)quinoline?
The canonical SMILES for 3-(3-ethylsulfanylpropoxy)quinoline is CCSCCCOc1cnc2ccccc2c1.
What is the InChIKey of 3-(3-ethylsulfanylpropoxy)quinoline?
The InChIKey is DRGCNOAFKOUSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-2-17-9-5-8-16-13-10-12-6-3-4-7-14(12)15-11-13/h3-4,6-7,10-11H,2,5,8-9H2,1H3.
What are the key properties of 3-(3-ethylsulfanylpropoxy)quinoline?
3-(3-ethylsulfanylpropoxy)quinoline has a molecular weight of 247.36 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylsulfanylpropoxy)quinoline is sourced from PubChem (CID 102847017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).