FJY

4-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1H-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline

Created:2012-06-20
Last modified:  2012-10-19

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count64
Chiral Atom Count0
Bond Count69
Aromatic Bond Count23
2D diagram of FJY

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-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1H-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline
Systematic Name (OpenEye OEToolkits)4-[1-(7-fluoranyl-3-methyl-2-pyridin-3-yl-quinolin-4-yl)-3,3-dimethyl-2H-indol-6-yl]morpholine
FormulaC29 H29 F N4 O
Molecular Weight468.565
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc6ccc2c(nc(c1cccnc1)c(c2N5c4cc(N3CCOCC3)ccc4C(C)(C)C5)C)c6
SMILESCACTVS3.370Cc1c(nc2cc(F)ccc2c1N3CC(C)(C)c4ccc(cc34)N5CCOCC5)c6cccnc6
SMILESOpenEye OEToolkits1.7.6Cc1c(c2ccc(cc2nc1c3cccnc3)F)N4CC(c5c4cc(cc5)N6CCOCC6)(C)C
Canonical SMILESCACTVS3.370 Cc1c(nc2cc(F)ccc2c1N3CC(C)(C)c4ccc(cc34)N5CCOCC5)c6cccnc6
Canonical SMILESOpenEye OEToolkits1.7.6 Cc1c(c2ccc(cc2nc1c3cccnc3)F)N4CC(c5c4cc(cc5)N6CCOCC6)(C)C
InChIInChI1.03 InChI=1S/C29H29FN4O/c1-19-27(20-5-4-10-31-17-20)32-25-15-21(30)6-8-23(25)28(19)34-18-29(2,3)24-9-7-22(16-26(24)34)33-11-13-35-14-12-33/h4-10,15-17H,11-14,18H2,1-3H3
InChIKeyInChI1.03 IGGNGGDYLDZKTR-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL2171920
PubChem 50939209
ChEMBL CHEMBL2171920