ZRV

4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-7-fluoroquinoline-3-carboxamide

Created:2021-05-27
Last modified:  2021-11-03

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Chemical Details

Formal Charge0
Atom Count66
Chiral Atom Count0
Bond Count70
Aromatic Bond Count23
2D diagram of ZRV

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Chemical Component Summary

Name4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-7-fluoroquinoline-3-carboxamide
Systematic Name (OpenEye OEToolkits)6-[4-(butylcarbamoyl)-3-fluoranyl-phenyl]-~{N}-cyclopropyl-7-fluoranyl-4-phenylazanyl-quinoline-3-carboxamide
FormulaC30 H28 F2 N4 O2
Molecular Weight514.566
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCCCNC(=O)c1ccc(cc1F)c1cc2c(Nc3ccccc3)c(cnc2cc1F)C(=O)NC1CC1
SMILESCACTVS3.385CCCCNC(=O)c1ccc(cc1F)c2cc3c(cc2F)ncc(C(=O)NC4CC4)c3Nc5ccccc5
SMILESOpenEye OEToolkits2.0.7CCCCNC(=O)c1ccc(cc1F)c2cc3c(cc2F)ncc(c3Nc4ccccc4)C(=O)NC5CC5
Canonical SMILESCACTVS3.385 CCCCNC(=O)c1ccc(cc1F)c2cc3c(cc2F)ncc(C(=O)NC4CC4)c3Nc5ccccc5
Canonical SMILESOpenEye OEToolkits2.0.7 CCCCNC(=O)c1ccc(cc1F)c2cc3c(cc2F)ncc(c3Nc4ccccc4)C(=O)NC5CC5
InChIInChI1.03 InChI=1S/C30H28F2N4O2/c1-2-3-13-33-29(37)21-12-9-18(14-25(21)31)22-15-23-27(16-26(22)32)34-17-24(30(38)36-20-10-11-20)28(23)35-19-7-5-4-6-8-19/h4-9,12,14-17,20H,2-3,10-11,13H2,1H3,(H,33,37)(H,34,35)(H,36,38)
InChIKeyInChI1.03 DBDGLOMDGKMHIN-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 156631272