7-methoxy-4-(4-methylsulfanylphenoxy)quinoline-3-carbonitrile

C18H14N2O2S — CID 157041119

IUPAC7-methoxy-4-(4-methylsulfanylphenoxy)quinoline-3-carbonitrile
SMILESCOc1ccc2c(Oc3ccc(SC)cc3)c(C#N)cnc2c1
InChIInChI=1S/C18H14N2O2S/c1-21-14-5-8-16-17(9-14)20-11-12(10-19)18(16)22-13-3-6-15(23-2)7-4-13/h3-9,11H,1-2H3
InChIKeyFFBKAWAAAZBMTF-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.63
Rot. Bonds4

About 7-methoxy-4-(4-methylsulfanylphenoxy)quinoline-3-carbonitrile

7-methoxy-4-(4-methylsulfanylphenoxy)quinoline-3-carbonitrile (PubChem CID 157041119) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is 7-methoxy-4-(4-methylsulfanylphenoxy)quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-methoxy-4-(4-methylsulfanylphenoxy)quinoline-3-carbonitrile
PubChem CID157041119
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC Name7-methoxy-4-(4-methylsulfanylphenoxy)quinoline-3-carbonitrile
SMILESCOc1ccc2c(Oc3ccc(SC)cc3)c(C#N)cnc2c1
InChIInChI=1S/C18H14N2O2S/c1-21-14-5-8-16-17(9-14)20-11-12(10-19)18(16)22-13-3-6-15(23-2)7-4-13/h3-9,11H,1-2H3
InChIKeyFFBKAWAAAZBMTF-UHFFFAOYSA-N
XLogP4.63
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-(4-methylsulfanylphenoxy)benzonitrile
CID 81305970
7-fluoro-4-[4-(methylsulfonimidoyl)phenoxy]quinoline-3-carbonitrile
CID 166561941
4-(4-fluoroanilino)-7-methoxyquinoline-3-carbonitrile
CID 50768736
4-(3-ethynylanilino)-7-methoxyquinoline-3-carbonitrile
CID 166629629
4-(4-hydroxyphenoxy)quinoline-3-carbonitrile
CID 60870090
7-methoxy-4-(2-methoxy-5-methylanilino)quinoline-3-carbonitrile
CID 50768609
6-fluoro-7-methoxy-4-[4-(methylsulfonimidoyl)phenoxy]quinoline-3-carbonitrile
CID 157040759
4-(3,4-dimethylphenoxy)quinoline-3-carbonitrile
CID 43669207
4-(3,5-difluorophenoxy)quinoline-3-carbonitrile
CID 62783932
7-methoxy-4-(4-propan-2-ylanilino)quinoline-3-carbonitrile;hydrochloride
CID 146055680
1-(3-cyano-7-methoxyquinolin-4-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 53113699
4-(3,4-dichlorophenoxy)quinoline-3-carbonitrile
CID 63512577

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(4-methylsulfanylphenoxy)quinoline-3-carbonitrile?
The IUPAC name of 7-methoxy-4-(4-methylsulfanylphenoxy)quinoline-3-carbonitrile (CID 157041119) is 7-methoxy-4-(4-methylsulfanylphenoxy)quinoline-3-carbonitrile.
What is the SMILES notation for 7-methoxy-4-(4-methylsulfanylphenoxy)quinoline-3-carbonitrile?
The canonical SMILES for 7-methoxy-4-(4-methylsulfanylphenoxy)quinoline-3-carbonitrile is COc1ccc2c(Oc3ccc(SC)cc3)c(C#N)cnc2c1.
What is the InChIKey of 7-methoxy-4-(4-methylsulfanylphenoxy)quinoline-3-carbonitrile?
The InChIKey is FFBKAWAAAZBMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S/c1-21-14-5-8-16-17(9-14)20-11-12(10-19)18(16)22-13-3-6-15(23-2)7-4-13/h3-9,11H,1-2H3.
What are the key properties of 7-methoxy-4-(4-methylsulfanylphenoxy)quinoline-3-carbonitrile?
7-methoxy-4-(4-methylsulfanylphenoxy)quinoline-3-carbonitrile has a molecular weight of 322.39 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(4-methylsulfanylphenoxy)quinoline-3-carbonitrile is sourced from PubChem (CID 157041119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).