8-(2-butylsulfanylethoxy)quinoline

C15H19NOS — CID 3042637

IUPAC8-(2-butylsulfanylethoxy)quinoline
SMILESCCCCSCCOc1cccc2cccnc12
InChIInChI=1S/C15H19NOS/c1-2-3-11-18-12-10-17-14-8-4-6-13-7-5-9-16-15(13)14/h4-9H,2-3,10-12H2,1H3
InChIKeyGODBCJHGNFEKTC-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.15
Rot. Bonds7

About 8-(2-butylsulfanylethoxy)quinoline

8-(2-butylsulfanylethoxy)quinoline (PubChem CID 3042637) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 8-(2-butylsulfanylethoxy)quinoline.

Molecular Properties

Compound Name8-(2-butylsulfanylethoxy)quinoline
PubChem CID3042637
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name8-(2-butylsulfanylethoxy)quinoline
SMILESCCCCSCCOc1cccc2cccnc12
InChIInChI=1S/C15H19NOS/c1-2-3-11-18-12-10-17-14-8-4-6-13-7-5-9-16-15(13)14/h4-9H,2-3,10-12H2,1H3
InChIKeyGODBCJHGNFEKTC-UHFFFAOYSA-N
XLogP4.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-(2-butylsulfanylethoxy)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2-butylsulfanylethoxy)quinoline?
The IUPAC name of 8-(2-butylsulfanylethoxy)quinoline (CID 3042637) is 8-(2-butylsulfanylethoxy)quinoline.
What is the SMILES notation for 8-(2-butylsulfanylethoxy)quinoline?
The canonical SMILES for 8-(2-butylsulfanylethoxy)quinoline is CCCCSCCOc1cccc2cccnc12.
What is the InChIKey of 8-(2-butylsulfanylethoxy)quinoline?
The InChIKey is GODBCJHGNFEKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-2-3-11-18-12-10-17-14-8-4-6-13-7-5-9-16-15(13)14/h4-9H,2-3,10-12H2,1H3.
What are the key properties of 8-(2-butylsulfanylethoxy)quinoline?
8-(2-butylsulfanylethoxy)quinoline has a molecular weight of 261.39 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-butylsulfanylethoxy)quinoline is sourced from PubChem (CID 3042637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).