2-(3-hydroxyphenyl)sulfanylquinoline-4-carbonitrile

C16H10N2OS — CID 104590924

IUPAC2-(3-hydroxyphenyl)sulfanylquinoline-4-carbonitrile
SMILESN#Cc1cc(Sc2cccc(O)c2)nc2ccccc12
InChIInChI=1S/C16H10N2OS/c17-10-11-8-16(18-15-7-2-1-6-14(11)15)20-13-5-3-4-12(19)9-13/h1-9,19H
InChIKeyQPXYZOJWOIBPNA-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.96
Rot. Bonds2

About 2-(3-hydroxyphenyl)sulfanylquinoline-4-carbonitrile

2-(3-hydroxyphenyl)sulfanylquinoline-4-carbonitrile (PubChem CID 104590924) has the molecular formula C16H10N2OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)sulfanylquinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)sulfanylquinoline-4-carbonitrile
PubChem CID104590924
Molecular FormulaC16H10N2OS
Molecular Weight278.34 g/mol
Exact Mass278.05
IUPAC Name2-(3-hydroxyphenyl)sulfanylquinoline-4-carbonitrile
SMILESN#Cc1cc(Sc2cccc(O)c2)nc2ccccc12
InChIInChI=1S/C16H10N2OS/c17-10-11-8-16(18-15-7-2-1-6-14(11)15)20-13-5-3-4-12(19)9-13/h1-9,19H
InChIKeyQPXYZOJWOIBPNA-UHFFFAOYSA-N
XLogP3.96
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)sulfanylquinoline-4-carbonitrile
CID 63885867
2-(4-chlorophenyl)sulfanylquinoline-4-carbonitrile
CID 63885866
2-(3,4-dimethylphenyl)sulfanylquinoline-4-carbonitrile
CID 63883926
2-thiophen-2-ylsulfanylquinoline-4-carbonitrile
CID 63884513
2-(5-methylpyrimidin-2-yl)sulfanylquinoline-4-carbonitrile
CID 63886063
2-(3-hydroxyphenoxy)quinoline-4-carbonitrile
CID 63886025
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
4-(3-hydroxyphenyl)sulfanyl-2-methylbenzonitrile
CID 104590967
2-chloro-4-(3-hydroxyphenyl)sulfanylbenzonitrile
CID 104590955
3-naphthalen-1-ylsulfanylphenol
CID 126704011

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)sulfanylquinoline-4-carbonitrile?
The IUPAC name of 2-(3-hydroxyphenyl)sulfanylquinoline-4-carbonitrile (CID 104590924) is 2-(3-hydroxyphenyl)sulfanylquinoline-4-carbonitrile.
What is the SMILES notation for 2-(3-hydroxyphenyl)sulfanylquinoline-4-carbonitrile?
The canonical SMILES for 2-(3-hydroxyphenyl)sulfanylquinoline-4-carbonitrile is N#Cc1cc(Sc2cccc(O)c2)nc2ccccc12.
What is the InChIKey of 2-(3-hydroxyphenyl)sulfanylquinoline-4-carbonitrile?
The InChIKey is QPXYZOJWOIBPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2OS/c17-10-11-8-16(18-15-7-2-1-6-14(11)15)20-13-5-3-4-12(19)9-13/h1-9,19H.
What are the key properties of 2-(3-hydroxyphenyl)sulfanylquinoline-4-carbonitrile?
2-(3-hydroxyphenyl)sulfanylquinoline-4-carbonitrile has a molecular weight of 278.34 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)sulfanylquinoline-4-carbonitrile is sourced from PubChem (CID 104590924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).