7-(4-methylsulfanylbut-3-ynoxy)quinoline

C14H13NOS — CID 153360032

IUPAC7-(4-methylsulfanylbut-3-ynoxy)quinoline
SMILESCSC#CCCOc1ccc2cccnc2c1
InChIInChI=1S/C14H13NOS/c1-17-10-3-2-9-16-13-7-6-12-5-4-8-15-14(12)11-13/h4-8,11H,2,9H2,1H3
InChIKeyPMCQLCDRPOCHGZ-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.33
Rot. Bonds3

About 7-(4-methylsulfanylbut-3-ynoxy)quinoline

7-(4-methylsulfanylbut-3-ynoxy)quinoline (PubChem CID 153360032) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 7-(4-methylsulfanylbut-3-ynoxy)quinoline.

Molecular Properties

Compound Name7-(4-methylsulfanylbut-3-ynoxy)quinoline
PubChem CID153360032
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name7-(4-methylsulfanylbut-3-ynoxy)quinoline
SMILESCSC#CCCOc1ccc2cccnc2c1
InChIInChI=1S/C14H13NOS/c1-17-10-3-2-9-16-13-7-6-12-5-4-8-15-14(12)11-13/h4-8,11H,2,9H2,1H3
InChIKeyPMCQLCDRPOCHGZ-UHFFFAOYSA-N
XLogP3.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-quinolin-7-yloxypropane-1-thiol
CID 107315768
N-ethyl-2-quinolin-7-yloxyethanamine
CID 107313475
3-quinolin-7-yloxypropanal
CID 107314214
6-quinolin-7-yloxyhexan-1-ol
CID 107705479
7-(3-azidopropoxy)quinoline
CID 107314475
N',N'-dimethyl-N-(2-quinolin-7-yloxyethyl)ethane-1,2-diamine
CID 107315215
N-(2-quinolin-7-yloxyethyl)cyclohexanamine
CID 107315321
N-(4-quinolin-7-yloxybutyl)cyclopropanamine
CID 107314991
N-propan-2-yl-5-quinolin-7-yloxypentan-1-amine
CID 107314998
N-ethyl-6-quinolin-7-yloxyhexan-3-amine
CID 107313514
2-(methylamino)-4-quinolin-7-yloxybutan-1-ol
CID 107315572
7-(2-bromoethoxy)quinoline;1,2-dibromoethane;quinolin-7-ol
CID 159602221

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylsulfanylbut-3-ynoxy)quinoline?
The IUPAC name of 7-(4-methylsulfanylbut-3-ynoxy)quinoline (CID 153360032) is 7-(4-methylsulfanylbut-3-ynoxy)quinoline.
What is the SMILES notation for 7-(4-methylsulfanylbut-3-ynoxy)quinoline?
The canonical SMILES for 7-(4-methylsulfanylbut-3-ynoxy)quinoline is CSC#CCCOc1ccc2cccnc2c1.
What is the InChIKey of 7-(4-methylsulfanylbut-3-ynoxy)quinoline?
The InChIKey is PMCQLCDRPOCHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c1-17-10-3-2-9-16-13-7-6-12-5-4-8-15-14(12)11-13/h4-8,11H,2,9H2,1H3.
What are the key properties of 7-(4-methylsulfanylbut-3-ynoxy)quinoline?
7-(4-methylsulfanylbut-3-ynoxy)quinoline has a molecular weight of 243.33 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylsulfanylbut-3-ynoxy)quinoline is sourced from PubChem (CID 153360032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).