6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione

C14H12N2S — CID 25180300

IUPAC6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione
SMILESS=C1CCc2cc(-c3cccnc3)ccc2N1
InChIInChI=1S/C14H12N2S/c17-14-6-4-11-8-10(3-5-13(11)16-14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2,(H,16,17)
InChIKeyBBIRVEDVKRWBOZ-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.43
Rot. Bonds1

About 6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione

6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione (PubChem CID 25180300) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione.

Molecular Properties

Compound Name6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione
PubChem CID25180300
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione
SMILESS=C1CCc2cc(-c3cccnc3)ccc2N1
InChIInChI=1S/C14H12N2S/c17-14-6-4-11-8-10(3-5-13(11)16-14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2,(H,16,17)
InChIKeyBBIRVEDVKRWBOZ-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione?
The IUPAC name of 6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione (CID 25180300) is 6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione.
What is the SMILES notation for 6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione?
The canonical SMILES for 6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione is S=C1CCc2cc(-c3cccnc3)ccc2N1.
What is the InChIKey of 6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione?
The InChIKey is BBIRVEDVKRWBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c17-14-6-4-11-8-10(3-5-13(11)16-14)12-2-1-7-15-9-12/h1-3,5,7-9H,4,6H2,(H,16,17).
What are the key properties of 6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione?
6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione has a molecular weight of 240.33 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yl-3,4-dihydro-1H-quinoline-2-thione is sourced from PubChem (CID 25180300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).