L93

6-fluoro-N-[(2R)-2-(2-methoxyphenoxy)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide

Created:2023-08-15
Last modified:  2023-11-08

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Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count1
Bond Count48
Aromatic Bond Count12
2D diagram of L93

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Chemical Component Summary

Name6-fluoro-N-[(2R)-2-(2-methoxyphenoxy)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Systematic Name (OpenEye OEToolkits)6-fluoranyl-~{N}-[(2~{R})-2-(2-methoxyphenoxy)propyl]-2-oxidanylidene-1~{H}-quinoline-4-carboxamide
FormulaC20 H19 F N2 O4
Molecular Weight370.374
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01COc1ccccc1OC(C)CNC(=O)C1=CC(=O)Nc2ccc(F)cc21
SMILESCACTVS3.385COc1ccccc1O[CH](C)CNC(=O)C2=CC(=O)Nc3ccc(F)cc23
SMILESOpenEye OEToolkits2.0.7CC(CNC(=O)C1=CC(=O)Nc2c1cc(cc2)F)Oc3ccccc3OC
Canonical SMILESCACTVS3.385 COc1ccccc1O[C@H](C)CNC(=O)C2=CC(=O)Nc3ccc(F)cc23
Canonical SMILESOpenEye OEToolkits2.0.7 C[C@H](CNC(=O)C1=CC(=O)Nc2c1cc(cc2)F)Oc3ccccc3OC
InChIInChI1.06 InChI=1S/C20H19FN2O4/c1-12(27-18-6-4-3-5-17(18)26-2)11-22-20(25)15-10-19(24)23-16-8-7-13(21)9-14(15)16/h3-10,12H,11H2,1-2H3,(H,22,25)(H,23,24)/t12-/m1/s1
InChIKeyInChI1.06 LZQQUMOUOYPMFQ-GFCCVEGCSA-N

Related Resource References

Resource NameReference
PubChem 169408189