6GE

4-methyl-3-{[6-(methylsulfonyl)quinolin-4-yl]amino}phenol

Created:2016-04-06
Last modified:  2016-05-18

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count0
Bond Count41
Aromatic Bond Count17
2D diagram of 6GE

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name4-methyl-3-{[6-(methylsulfonyl)quinolin-4-yl]amino}phenol
Systematic Name (OpenEye OEToolkits)4-methyl-3-[(6-methylsulfonylquinolin-4-yl)amino]phenol
FormulaC17 H16 N2 O3 S
Molecular Weight328.386
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N(c2c1cc(ccc1ncc2)S(C)(=O)=O)c3cc(ccc3C)O
SMILESCACTVS3.385Cc1ccc(O)cc1Nc2ccnc3ccc(cc23)[S](C)(=O)=O
SMILESOpenEye OEToolkits2.0.4Cc1ccc(cc1Nc2ccnc3c2cc(cc3)S(=O)(=O)C)O
Canonical SMILESCACTVS3.385 Cc1ccc(O)cc1Nc2ccnc3ccc(cc23)[S](C)(=O)=O
Canonical SMILESOpenEye OEToolkits2.0.4 Cc1ccc(cc1Nc2ccnc3c2cc(cc3)S(=O)(=O)C)O
InChIInChI1.03 InChI=1S/C17H16N2O3S/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(10-14(15)16)23(2,21)22/h3-10,20H,1-2H3,(H,18,19)
InChIKeyInChI1.03 BVHZLDLRNBQWRF-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL237347
PubChem 9927432
ChEMBL CHEMBL237347