5ME

3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1R)-1-(pyridin-2-yl)ethyl]propanamide

Created:2012-09-19
Last modified:  2013-06-19

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count1
Bond Count44
Aromatic Bond Count12
2D diagram of 5ME

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

Name3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1R)-1-(pyridin-2-yl)ethyl]propanamide
Systematic Name (OpenEye OEToolkits)3-(4-oxidanylidene-3H-quinazolin-2-yl)-N-[(1R)-1-pyridin-2-ylethyl]propanamide
FormulaC18 H18 N4 O2
Molecular Weight322.361
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC(c1ncccc1)C)CCC3=Nc2c(cccc2)C(=O)N3
SMILESCACTVS3.370C[CH](NC(=O)CCC1=Nc2ccccc2C(=O)N1)c3ccccn3
SMILESOpenEye OEToolkits1.7.6CC(c1ccccn1)NC(=O)CCC2=Nc3ccccc3C(=O)N2
Canonical SMILESCACTVS3.370 C[C@@H](NC(=O)CCC1=Nc2ccccc2C(=O)N1)c3ccccn3
Canonical SMILESOpenEye OEToolkits1.7.6 C[C@H](c1ccccn1)NC(=O)CCC2=Nc3ccccc3C(=O)N2
InChIInChI1.03 InChI=1S/C18H18N4O2/c1-12(14-7-4-5-11-19-14)20-17(23)10-9-16-21-15-8-3-2-6-13(15)18(24)22-16/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22,24)/t12-/m1/s1
InChIKeyInChI1.03 HWTVYWVFOWWESR-GFCCVEGCSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3092538
PubChem 135566762, 9107457
ChEMBL CHEMBL3092538