NCE

3,6-Bis[(3-morpholinopropionamido)] acridine

Created:2008-09-26
Last modified:  2021-03-13

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Chemical Details

Formal Charge0
Atom Count69
Chiral Atom Count0
Bond Count73
Aromatic Bond Count16
2D diagram of NCE

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Chemical Component Summary

Name3,6-Bis[(3-morpholinopropionamido)] acridine
SynonymsN,N'-acridine-3,6-diylbis(3-morpholin-4-ylpropanamide)
Systematic Name (OpenEye OEToolkits)3-morpholin-4-yl-N-[6-(3-morpholin-4-ylpropanoylamino)acridin-3-yl]propanamide
FormulaC27 H33 N5 O4
Molecular Weight491.582
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCOCC4)CCN5CCOCC5
SMILESCACTVS3.341O=C(CCN1CCOCC1)Nc2ccc3cc4ccc(NC(=O)CCN5CCOCC5)cc4nc3c2
SMILESOpenEye OEToolkits1.5.0c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCOCC4)NC(=O)CCN5CCOCC5
Canonical SMILESCACTVS3.341 O=C(CCN1CCOCC1)Nc2ccc3cc4ccc(NC(=O)CCN5CCOCC5)cc4nc3c2
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCOCC4)NC(=O)CCN5CCOCC5
InChIInChI1.03 InChI=1S/C27H33N5O4/c33-26(5-7-31-9-13-35-14-10-31)28-22-3-1-20-17-21-2-4-23(19-25(21)30-24(20)18-22)29-27(34)6-8-32-11-15-36-16-12-32/h1-4,17-19H,5-16H2,(H,28,33)(H,29,34)
InChIKeyInChI1.03 PKCWQSROJQAQMV-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 24963052
ChEMBL CHEMBL421143