QV2

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

Created:2020-08-13
Last modified:  2021-06-30

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Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count0
Bond Count49
Aromatic Bond Count10
2D diagram of QV2

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Chemical Component Summary

Name2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one
Systematic Name (OpenEye OEToolkits)2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one
FormulaC19 H20 N4 O2
Molecular Weight336.388
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385O=C1CCCC2=C1C3(CCCC3)N=C(N2)Nc4oc5ccccc5n4
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)nc(o2)NC3=NC4(CCCC4)C5=C(N3)CCCC5=O
Canonical SMILESCACTVS3.385 O=C1CCCC2=C1C3(CCCC3)N=C(N2)Nc4oc5ccccc5n4
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc2c(c1)nc(o2)NC3=NC4(CCCC4)C5=C(N3)CCCC5=O
InChIInChI1.03 InChI=1S/C19H20N4O2/c24-14-8-5-7-13-16(14)19(10-3-4-11-19)23-17(20-13)22-18-21-12-6-1-2-9-15(12)25-18/h1-2,6,9H,3-5,7-8,10-11H2,(H2,20,21,22,23)
InChIKeyInChI1.03 FDNVTCDQGOVLPM-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 664331
ChEMBL CHEMBL1347128
ChEBI CHEBI:93488