HFK

2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one

Created:2018-12-05
Last modified:  2019-01-23

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Chemical Details

Formal Charge0
Atom Count48
Chiral Atom Count0
Bond Count52
Aromatic Bond Count10
2D diagram of HFK

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Chemical Component Summary

Name2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one
Systematic Name (OpenEye OEToolkits)2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one
FormulaC20 H22 N4 O2
Molecular Weight350.414
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385O=C1CCCC2=C1C3(CCCCC3)N=C(N2)Nc4oc5ccccc5n4
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)nc(o2)NC3=NC4(CCCCC4)C5=C(N3)CCCC5=O
Canonical SMILESCACTVS3.385 O=C1CCCC2=C1C3(CCCCC3)N=C(N2)Nc4oc5ccccc5n4
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc2c(c1)nc(o2)NC3=NC4(CCCCC4)C5=C(N3)CCCC5=O
InChIInChI1.03 InChI=1S/C20H22N4O2/c25-15-9-6-8-14-17(15)20(11-4-1-5-12-20)24-18(21-14)23-19-22-13-7-2-3-10-16(13)26-19/h2-3,7,10H,1,4-6,8-9,11-12H2,(H2,21,22,23,24)
InChIKeyInChI1.03 AZBGHUMVHJKFOO-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 1294862
ChEMBL CHEMBL1325876