2QT

N-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-(pyrrolidin-1-yl)acetamide

Created:2014-01-09
Last modified:  2014-04-23

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Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count0
Bond Count50
Aromatic Bond Count17
2D diagram of 2QT

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Chemical Component Summary

NameN-[3-(4-aminoquinazolin-6-yl)-5-fluorophenyl]-2-(pyrrolidin-1-yl)acetamide
Systematic Name (OpenEye OEToolkits)N-[3-(4-azanylquinazolin-6-yl)-5-fluoranyl-phenyl]-2-pyrrolidin-1-yl-ethanamide
FormulaC20 H20 F N5 O
Molecular Weight365.404
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc3cc(c2cc1c(ncnc1cc2)N)cc(F)c3)CN4CCCC4
SMILESCACTVS3.385Nc1ncnc2ccc(cc12)c3cc(F)cc(NC(=O)CN4CCCC4)c3
SMILESOpenEye OEToolkits1.7.6c1cc2c(cc1c3cc(cc(c3)F)NC(=O)CN4CCCC4)c(ncn2)N
Canonical SMILESCACTVS3.385 Nc1ncnc2ccc(cc12)c3cc(F)cc(NC(=O)CN4CCCC4)c3
Canonical SMILESOpenEye OEToolkits1.7.6 c1cc2c(cc1c3cc(cc(c3)F)NC(=O)CN4CCCC4)c(ncn2)N
InChIInChI1.03 InChI=1S/C20H20FN5O/c21-15-7-14(13-3-4-18-17(9-13)20(22)24-12-23-18)8-16(10-15)25-19(27)11-26-5-1-2-6-26/h3-4,7-10,12H,1-2,5-6,11H2,(H,25,27)(H2,22,23,24)
InChIKeyInChI1.03 GDCGMGVDMXRLGC-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 72705490
ChEMBL CHEMBL3262592