4-(oxan-4-ylsulfanyl)quinoline-3-carbonitrile

C15H14N2OS — CID 62996788

IUPAC4-(oxan-4-ylsulfanyl)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1SC1CCOCC1
InChIInChI=1S/C15H14N2OS/c16-9-11-10-17-14-4-2-1-3-13(14)15(11)19-12-5-7-18-8-6-12/h1-4,10,12H,5-8H2
InChIKeyAJBMBXAEEFBXGO-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.38
Rot. Bonds2

About 4-(oxan-4-ylsulfanyl)quinoline-3-carbonitrile

4-(oxan-4-ylsulfanyl)quinoline-3-carbonitrile (PubChem CID 62996788) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-(oxan-4-ylsulfanyl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(oxan-4-ylsulfanyl)quinoline-3-carbonitrile
PubChem CID62996788
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name4-(oxan-4-ylsulfanyl)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1SC1CCOCC1
InChIInChI=1S/C15H14N2OS/c16-9-11-10-17-14-4-2-1-3-13(14)15(11)19-12-5-7-18-8-6-12/h1-4,10,12H,5-8H2
InChIKeyAJBMBXAEEFBXGO-UHFFFAOYSA-N
XLogP3.38
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylsulfanyl)quinoline-3-carbonitrile?
The IUPAC name of 4-(oxan-4-ylsulfanyl)quinoline-3-carbonitrile (CID 62996788) is 4-(oxan-4-ylsulfanyl)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(oxan-4-ylsulfanyl)quinoline-3-carbonitrile?
The canonical SMILES for 4-(oxan-4-ylsulfanyl)quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1SC1CCOCC1.
What is the InChIKey of 4-(oxan-4-ylsulfanyl)quinoline-3-carbonitrile?
The InChIKey is AJBMBXAEEFBXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c16-9-11-10-17-14-4-2-1-3-13(14)15(11)19-12-5-7-18-8-6-12/h1-4,10,12H,5-8H2.
What are the key properties of 4-(oxan-4-ylsulfanyl)quinoline-3-carbonitrile?
4-(oxan-4-ylsulfanyl)quinoline-3-carbonitrile has a molecular weight of 270.36 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylsulfanyl)quinoline-3-carbonitrile is sourced from PubChem (CID 62996788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).