6FV

10-(4-hydroxyphenyl)-2,4-dioxo-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile

Created:2016-04-01
Last modified:  2016-05-04

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Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count0
Bond Count38
Aromatic Bond Count12
2D diagram of 6FV

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Chemical Component Summary

Name10-(4-hydroxyphenyl)-2,4-dioxo-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile
Systematic Name (OpenEye OEToolkits)10-(4-hydroxyphenyl)-2,4-bis(oxidanylidene)pyrimido[4,5-b]quinoline-8-carbonitrile
FormulaC18 H10 N4 O3
Molecular Weight330.297
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N3C(C2=Cc4c(N(c1ccc(cc1)O)C2=NC3=O)cc(cc4)C#N)=O
SMILESCACTVS3.385Oc1ccc(cc1)N2c3cc(ccc3C=C4C(=O)NC(=O)N=C24)C#N
SMILESOpenEye OEToolkits2.0.4c1cc(ccc1N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)O
Canonical SMILESCACTVS3.385 Oc1ccc(cc1)N2c3cc(ccc3C=C4C(=O)NC(=O)N=C24)C#N
Canonical SMILESOpenEye OEToolkits2.0.4 c1cc(ccc1N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)O
InChIInChI1.03 InChI=1S/C18H10N4O3/c19-9-10-1-2-11-8-14-16(20-18(25)21-17(14)24)22(15(11)7-10)12-3-5-13(23)6-4-12/h1-8,23H,(H,21,24,25)
InChIKeyInChI1.03 JAOMIQIQBBRLQX-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL2420465
PubChem 71818869
ChEMBL CHEMBL2420465