2-(4-chlorophenyl)sulfanylquinoline-4-carbonitrile

C16H9ClN2S — CID 63885866

IUPAC2-(4-chlorophenyl)sulfanylquinoline-4-carbonitrile
SMILESN#Cc1cc(Sc2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C16H9ClN2S/c17-12-5-7-13(8-6-12)20-16-9-11(10-18)14-3-1-2-4-15(14)19-16/h1-9H
InChIKeyJNFUCAQQYCPFGJ-UHFFFAOYSA-N
MW296.78 g/mol
LogP4.91
Rot. Bonds2

About 2-(4-chlorophenyl)sulfanylquinoline-4-carbonitrile

2-(4-chlorophenyl)sulfanylquinoline-4-carbonitrile (PubChem CID 63885866) has the molecular formula C16H9ClN2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanylquinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanylquinoline-4-carbonitrile
PubChem CID63885866
Molecular FormulaC16H9ClN2S
Molecular Weight296.78 g/mol
Exact Mass296.02
IUPAC Name2-(4-chlorophenyl)sulfanylquinoline-4-carbonitrile
SMILESN#Cc1cc(Sc2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C16H9ClN2S/c17-12-5-7-13(8-6-12)20-16-9-11(10-18)14-3-1-2-4-15(14)19-16/h1-9H
InChIKeyJNFUCAQQYCPFGJ-UHFFFAOYSA-N
XLogP4.91
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenyl)sulfanylquinoline-4-carbonitrile
CID 63883926
2-(3-hydroxyphenyl)sulfanylquinoline-4-carbonitrile
CID 104590924
2-(3-methylphenyl)sulfanylquinoline-4-carbonitrile
CID 63885867
2-thiophen-2-ylsulfanylquinoline-4-carbonitrile
CID 63884513
2-(5-methylpyrimidin-2-yl)sulfanylquinoline-4-carbonitrile
CID 63886063
2-(2-methoxyphenyl)sulfanylquinoline-4-carbonitrile
CID 63886061
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinoline-4-carbonitrile
CID 63884121
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carbonitrile
CID 106922446
2-(4-chlorobutan-2-ylsulfanyl)quinoline-4-carbonitrile
CID 66138989
5-(4-chlorophenyl)sulfanyl-2-hydroxybenzonitrile
CID 91877020
2-(4-chlorophenyl)sulfanyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 4182262
6-chloro-2-(3-hydroxybutan-2-ylsulfanyl)quinoline-4-carbonitrile
CID 133428131

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanylquinoline-4-carbonitrile?
The IUPAC name of 2-(4-chlorophenyl)sulfanylquinoline-4-carbonitrile (CID 63885866) is 2-(4-chlorophenyl)sulfanylquinoline-4-carbonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanylquinoline-4-carbonitrile?
The canonical SMILES for 2-(4-chlorophenyl)sulfanylquinoline-4-carbonitrile is N#Cc1cc(Sc2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)sulfanylquinoline-4-carbonitrile?
The InChIKey is JNFUCAQQYCPFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN2S/c17-12-5-7-13(8-6-12)20-16-9-11(10-18)14-3-1-2-4-15(14)19-16/h1-9H.
What are the key properties of 2-(4-chlorophenyl)sulfanylquinoline-4-carbonitrile?
2-(4-chlorophenyl)sulfanylquinoline-4-carbonitrile has a molecular weight of 296.78 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanylquinoline-4-carbonitrile is sourced from PubChem (CID 63885866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).