5-quinolin-8-ylsulfanylfuran-2-carbaldehyde

C14H9NO2S — CID 693263

IUPAC5-quinolin-8-ylsulfanylfuran-2-carbaldehyde
SMILESO=Cc1ccc(Sc2cccc3cccnc23)o1
InChIInChI=1S/C14H9NO2S/c16-9-11-6-7-13(17-11)18-12-5-1-3-10-4-2-8-15-14(10)12/h1-9H
InChIKeyRDSWWSUEKUWICW-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.79
Rot. Bonds3

About 5-quinolin-8-ylsulfanylfuran-2-carbaldehyde

5-quinolin-8-ylsulfanylfuran-2-carbaldehyde (PubChem CID 693263) has the molecular formula C14H9NO2S and a molecular weight of 255.30 g/mol. Its IUPAC name is 5-quinolin-8-ylsulfanylfuran-2-carbaldehyde.

Molecular Properties

Compound Name5-quinolin-8-ylsulfanylfuran-2-carbaldehyde
PubChem CID693263
Molecular FormulaC14H9NO2S
Molecular Weight255.30 g/mol
Exact Mass255.04
IUPAC Name5-quinolin-8-ylsulfanylfuran-2-carbaldehyde
SMILESO=Cc1ccc(Sc2cccc3cccnc23)o1
InChIInChI=1S/C14H9NO2S/c16-9-11-6-7-13(17-11)18-12-5-1-3-10-4-2-8-15-14(10)12/h1-9H
InChIKeyRDSWWSUEKUWICW-UHFFFAOYSA-N
XLogP3.79
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-quinolin-8-ylsulfanylfuran-2-carbaldehyde?
The IUPAC name of 5-quinolin-8-ylsulfanylfuran-2-carbaldehyde (CID 693263) is 5-quinolin-8-ylsulfanylfuran-2-carbaldehyde.
What is the SMILES notation for 5-quinolin-8-ylsulfanylfuran-2-carbaldehyde?
The canonical SMILES for 5-quinolin-8-ylsulfanylfuran-2-carbaldehyde is O=Cc1ccc(Sc2cccc3cccnc23)o1.
What is the InChIKey of 5-quinolin-8-ylsulfanylfuran-2-carbaldehyde?
The InChIKey is RDSWWSUEKUWICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2S/c16-9-11-6-7-13(17-11)18-12-5-1-3-10-4-2-8-15-14(10)12/h1-9H.
What are the key properties of 5-quinolin-8-ylsulfanylfuran-2-carbaldehyde?
5-quinolin-8-ylsulfanylfuran-2-carbaldehyde has a molecular weight of 255.30 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-quinolin-8-ylsulfanylfuran-2-carbaldehyde is sourced from PubChem (CID 693263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).