4-chloro-6-fluoro-7-methoxy-2-[2-(4-methylsulfanylphenoxy)ethyl]quinoline

C19H17ClFNO2S — CID 167284418

IUPAC4-chloro-6-fluoro-7-methoxy-2-[2-(4-methylsulfanylphenoxy)ethyl]quinoline
SMILESCOc1cc2nc(CCOc3ccc(SC)cc3)cc(Cl)c2cc1F
InChIInChI=1S/C19H17ClFNO2S/c1-23-19-11-18-15(10-17(19)21)16(20)9-12(22-18)7-8-24-13-3-5-14(25-2)6-4-13/h3-6,9-11H,7-8H2,1-2H3
InChIKeyNPXAOOBQWSAJLA-UHFFFAOYSA-N
MW377.87 g/mol
LogP5.38
Rot. Bonds6

About 4-chloro-6-fluoro-7-methoxy-2-[2-(4-methylsulfanylphenoxy)ethyl]quinoline

4-chloro-6-fluoro-7-methoxy-2-[2-(4-methylsulfanylphenoxy)ethyl]quinoline (PubChem CID 167284418) has the molecular formula C19H17ClFNO2S and a molecular weight of 377.87 g/mol. Its IUPAC name is 4-chloro-6-fluoro-7-methoxy-2-[2-(4-methylsulfanylphenoxy)ethyl]quinoline.

Molecular Properties

Compound Name4-chloro-6-fluoro-7-methoxy-2-[2-(4-methylsulfanylphenoxy)ethyl]quinoline
PubChem CID167284418
Molecular FormulaC19H17ClFNO2S
Molecular Weight377.87 g/mol
Exact Mass377.07
IUPAC Name4-chloro-6-fluoro-7-methoxy-2-[2-(4-methylsulfanylphenoxy)ethyl]quinoline
SMILESCOc1cc2nc(CCOc3ccc(SC)cc3)cc(Cl)c2cc1F
InChIInChI=1S/C19H17ClFNO2S/c1-23-19-11-18-15(10-17(19)21)16(20)9-12(22-18)7-8-24-13-3-5-14(25-2)6-4-13/h3-6,9-11H,7-8H2,1-2H3
InChIKeyNPXAOOBQWSAJLA-UHFFFAOYSA-N
XLogP5.38
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.87
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-7-methoxy-2-[2-(4-methylsulfanylphenoxy)ethyl]quinoline?
The IUPAC name of 4-chloro-6-fluoro-7-methoxy-2-[2-(4-methylsulfanylphenoxy)ethyl]quinoline (CID 167284418) is 4-chloro-6-fluoro-7-methoxy-2-[2-(4-methylsulfanylphenoxy)ethyl]quinoline.
What is the SMILES notation for 4-chloro-6-fluoro-7-methoxy-2-[2-(4-methylsulfanylphenoxy)ethyl]quinoline?
The canonical SMILES for 4-chloro-6-fluoro-7-methoxy-2-[2-(4-methylsulfanylphenoxy)ethyl]quinoline is COc1cc2nc(CCOc3ccc(SC)cc3)cc(Cl)c2cc1F.
What is the InChIKey of 4-chloro-6-fluoro-7-methoxy-2-[2-(4-methylsulfanylphenoxy)ethyl]quinoline?
The InChIKey is NPXAOOBQWSAJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFNO2S/c1-23-19-11-18-15(10-17(19)21)16(20)9-12(22-18)7-8-24-13-3-5-14(25-2)6-4-13/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 4-chloro-6-fluoro-7-methoxy-2-[2-(4-methylsulfanylphenoxy)ethyl]quinoline?
4-chloro-6-fluoro-7-methoxy-2-[2-(4-methylsulfanylphenoxy)ethyl]quinoline has a molecular weight of 377.87 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-7-methoxy-2-[2-(4-methylsulfanylphenoxy)ethyl]quinoline is sourced from PubChem (CID 167284418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).