7-ethyl-6-methoxy-4-[(4-methylsulfanylphenyl)methoxy]quinoline

C20H21NO2S — CID 177345971

IUPAC7-ethyl-6-methoxy-4-[(4-methylsulfanylphenyl)methoxy]quinoline
SMILESCCc1cc2nccc(OCc3ccc(SC)cc3)c2cc1OC
InChIInChI=1S/C20H21NO2S/c1-4-15-11-18-17(12-20(15)22-2)19(9-10-21-18)23-13-14-5-7-16(24-3)8-6-14/h5-12H,4,13H2,1-3H3
InChIKeyJAEFKHSNHBGBDS-UHFFFAOYSA-N
MW339.46 g/mol
LogP5.11
Rot. Bonds6

About 7-ethyl-6-methoxy-4-[(4-methylsulfanylphenyl)methoxy]quinoline

7-ethyl-6-methoxy-4-[(4-methylsulfanylphenyl)methoxy]quinoline (PubChem CID 177345971) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is 7-ethyl-6-methoxy-4-[(4-methylsulfanylphenyl)methoxy]quinoline.

Molecular Properties

Compound Name7-ethyl-6-methoxy-4-[(4-methylsulfanylphenyl)methoxy]quinoline
PubChem CID177345971
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC Name7-ethyl-6-methoxy-4-[(4-methylsulfanylphenyl)methoxy]quinoline
SMILESCCc1cc2nccc(OCc3ccc(SC)cc3)c2cc1OC
InChIInChI=1S/C20H21NO2S/c1-4-15-11-18-17(12-20(15)22-2)19(9-10-21-18)23-13-14-5-7-16(24-3)8-6-14/h5-12H,4,13H2,1-3H3
InChIKeyJAEFKHSNHBGBDS-UHFFFAOYSA-N
XLogP5.11
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.46
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-methoxy-4-[(4-methylsulfanylphenyl)methoxy]-1,7-naphthyridine
CID 177053181
methane;4,6,7-trimethoxyquinoline
CID 157066291
azane;4-(2-fluorophenoxy)-6-methoxy-7-phenylmethoxyquinoline
CID 67265211
7-methoxy-4-[(4-methylsulfinylphenyl)methoxy]quinoline
CID 157040683
3-[(4-methylsulfanylphenyl)methoxy]pyridine-2-carboxylic acid
CID 61380434
4-(2-fluoro-4-nitrosophenoxy)-7-methoxy-6-phenylmethoxyquinoline
CID 89208447
7-methoxy-4-[(4-methylsulfanylfuran-2-yl)methoxy]quinoline
CID 157041157
4-(6-ethyl-7-methoxyquinolin-4-yl)oxy-N,2,3-trimethylaniline
CID 142073560
4,6-dimethoxy-7-pentan-3-yloxyquinoline
CID 155219752
methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate
CID 175032455
6-fluoro-4-phenylmethoxyquinoline
CID 164587586
6-methoxy-4-(2-methylquinolin-3-yl)oxy-7-phenylmethoxyquinoline
CID 23078517

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-methoxy-4-[(4-methylsulfanylphenyl)methoxy]quinoline?
The IUPAC name of 7-ethyl-6-methoxy-4-[(4-methylsulfanylphenyl)methoxy]quinoline (CID 177345971) is 7-ethyl-6-methoxy-4-[(4-methylsulfanylphenyl)methoxy]quinoline.
What is the SMILES notation for 7-ethyl-6-methoxy-4-[(4-methylsulfanylphenyl)methoxy]quinoline?
The canonical SMILES for 7-ethyl-6-methoxy-4-[(4-methylsulfanylphenyl)methoxy]quinoline is CCc1cc2nccc(OCc3ccc(SC)cc3)c2cc1OC.
What is the InChIKey of 7-ethyl-6-methoxy-4-[(4-methylsulfanylphenyl)methoxy]quinoline?
The InChIKey is JAEFKHSNHBGBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S/c1-4-15-11-18-17(12-20(15)22-2)19(9-10-21-18)23-13-14-5-7-16(24-3)8-6-14/h5-12H,4,13H2,1-3H3.
What are the key properties of 7-ethyl-6-methoxy-4-[(4-methylsulfanylphenyl)methoxy]quinoline?
7-ethyl-6-methoxy-4-[(4-methylsulfanylphenyl)methoxy]quinoline has a molecular weight of 339.46 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-methoxy-4-[(4-methylsulfanylphenyl)methoxy]quinoline is sourced from PubChem (CID 177345971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).