DXQ

7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine

Created:2009-10-09
Last modified:  2011-06-04

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count78
Chiral Atom Count0
Bond Count81
Aromatic Bond Count11
2D diagram of DXQ

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

Name7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
Systematic Name (OpenEye OEToolkits)7-[3-(dimethylamino)propoxy]-6-methoxy-2-[(4S)-4-methyl-1,4-diazepan-1-yl]-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
FormulaC26 H43 N7 O2
Molecular Weight485.665
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02O(c3cc2nc(nc(NC1CCN(C)CC1)c2cc3OC)N4CCCN(C)CC4)CCCN(C)C
SMILESCACTVS3.352COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N4CCCN(C)CC4
SMILESOpenEye OEToolkits1.7.0CN1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)C)OC)OCCCN(C)C
Canonical SMILESCACTVS3.352 COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N4CCCN(C)CC4
Canonical SMILESOpenEye OEToolkits1.7.0 C[N@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)C)OC)OCCCN(C)C
InChIInChI1.03 InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)
InChIKeyInChI1.03 XIVUGRBSBIXXJE-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL576781
PubChem 44251522
ChEMBL CHEMBL576781