2-phenylsulfanylquinoline-3-carbaldehyde

C16H11NOS — CID 55238193

IUPAC2-phenylsulfanylquinoline-3-carbaldehyde
SMILESO=Cc1cc2ccccc2nc1Sc1ccccc1
InChIInChI=1S/C16H11NOS/c18-11-13-10-12-6-4-5-9-15(12)17-16(13)19-14-7-2-1-3-8-14/h1-11H
InChIKeyPVUFOUOLULOGPH-UHFFFAOYSA-N
MW265.34 g/mol
LogP4.20
Rot. Bonds3

About 2-phenylsulfanylquinoline-3-carbaldehyde

2-phenylsulfanylquinoline-3-carbaldehyde (PubChem CID 55238193) has the molecular formula C16H11NOS and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-phenylsulfanylquinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-phenylsulfanylquinoline-3-carbaldehyde
PubChem CID55238193
Molecular FormulaC16H11NOS
Molecular Weight265.34 g/mol
Exact Mass265.06
IUPAC Name2-phenylsulfanylquinoline-3-carbaldehyde
SMILESO=Cc1cc2ccccc2nc1Sc1ccccc1
InChIInChI=1S/C16H11NOS/c18-11-13-10-12-6-4-5-9-15(12)17-16(13)19-14-7-2-1-3-8-14/h1-11H
InChIKeyPVUFOUOLULOGPH-UHFFFAOYSA-N
XLogP4.20
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanylquinoline-3-carbaldehyde?
The IUPAC name of 2-phenylsulfanylquinoline-3-carbaldehyde (CID 55238193) is 2-phenylsulfanylquinoline-3-carbaldehyde.
What is the SMILES notation for 2-phenylsulfanylquinoline-3-carbaldehyde?
The canonical SMILES for 2-phenylsulfanylquinoline-3-carbaldehyde is O=Cc1cc2ccccc2nc1Sc1ccccc1.
What is the InChIKey of 2-phenylsulfanylquinoline-3-carbaldehyde?
The InChIKey is PVUFOUOLULOGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NOS/c18-11-13-10-12-6-4-5-9-15(12)17-16(13)19-14-7-2-1-3-8-14/h1-11H.
What are the key properties of 2-phenylsulfanylquinoline-3-carbaldehyde?
2-phenylsulfanylquinoline-3-carbaldehyde has a molecular weight of 265.34 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanylquinoline-3-carbaldehyde is sourced from PubChem (CID 55238193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).