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

Name: 7-methoxy-4-(4-methylsulfanylphenoxy)quinoline-3-carbonitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₁₄N₂O₂S — CID 157041119

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	7-methoxy-4-(4-methylsulfanylphenoxy)quinoline-3-carbonitrile
PubChem CID	157041119
Molecular Formula	C₁₈H₁₄N₂O₂S
Molecular Weight	322.39 g/mol
Exact Mass	322.08
IUPAC Name	7-methoxy-4-(4-methylsulfanylphenoxy)quinoline-3-carbonitrile
SMILES	COc1ccc2c(Oc3ccc(SC)cc3)c(C#N)cnc2c1
InChI	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
InChIKey	FFBKAWAAAZBMTF-UHFFFAOYSA-N
XLogP	4.63
TPSA	55.14 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.39
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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).

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Sources

PubChem CID 157041119 — identifiers, structure, computed properties (public domain)

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