3,4-dihydro-2H-quinolin-1-yl(pyridin-2-yl)methanethione

C15H14N2S — CID 14510230

IUPAC3,4-dihydro-2H-quinolin-1-yl(pyridin-2-yl)methanethione
SMILESS=C(c1ccccn1)N1CCCc2ccccc21
InChIInChI=1S/C15H14N2S/c18-15(13-8-3-4-10-16-13)17-11-5-7-12-6-1-2-9-14(12)17/h1-4,6,8-10H,5,7,11H2
InChIKeyRWJNGDKPGDGVND-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.21
Rot. Bonds1

About 3,4-dihydro-2H-quinolin-1-yl(pyridin-2-yl)methanethione

3,4-dihydro-2H-quinolin-1-yl(pyridin-2-yl)methanethione (PubChem CID 14510230) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl(pyridin-2-yl)methanethione.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl(pyridin-2-yl)methanethione
PubChem CID14510230
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name3,4-dihydro-2H-quinolin-1-yl(pyridin-2-yl)methanethione
SMILESS=C(c1ccccn1)N1CCCc2ccccc21
InChIInChI=1S/C15H14N2S/c18-15(13-8-3-4-10-16-13)17-11-5-7-12-6-1-2-9-14(12)17/h1-4,6,8-10H,5,7,11H2
InChIKeyRWJNGDKPGDGVND-UHFFFAOYSA-N
XLogP3.21
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
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 3,4-dihydro-2H-quinolin-1-yl(pyridin-2-yl)methanethione?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl(pyridin-2-yl)methanethione (CID 14510230) is 3,4-dihydro-2H-quinolin-1-yl(pyridin-2-yl)methanethione.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl(pyridin-2-yl)methanethione?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl(pyridin-2-yl)methanethione is S=C(c1ccccn1)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl(pyridin-2-yl)methanethione?
The InChIKey is RWJNGDKPGDGVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c18-15(13-8-3-4-10-16-13)17-11-5-7-12-6-1-2-9-14(12)17/h1-4,6,8-10H,5,7,11H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl(pyridin-2-yl)methanethione?
3,4-dihydro-2H-quinolin-1-yl(pyridin-2-yl)methanethione has a molecular weight of 254.36 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl(pyridin-2-yl)methanethione is sourced from PubChem (CID 14510230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).