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2F3

Summary
Name:1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid
Formula:C25 H17 Cl F N3 O3
Formal charge:0
Formula weight:461.872 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid
OpenEye OEToolkits1.7.61-[(2-chloranylquinolin-3-yl)methyl]-6-fluoranyl-5-methyl-3-(2-oxidanylidene-1H-pyridin-3-yl)indole-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C5NC=CC=C5c2c1cc(c(F)cc1n(c2C(=O)O)Cc3cc4ccccc4nc3Cl)C
InChIInChI1.03InChI=1S/C25H17ClFN3O3/c1-13-9-17-20(11-18(13)27)30(12-15-10-14-5-2-3-7-19(14)29-23(15)26)22(25(32)33)21(17)16-6-4-8-28-24(16)31/h2-11H,12H2,1H3,(H,28,31)(H,32,33)
InChIKeyInChI1.03UZVPIJMLVISXHS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc2c(cc1F)n(Cc3cc4ccccc4nc3Cl)c(C(O)=O)c2C5=CC=CNC5=O
SMILESCACTVS3.385Cc1cc2c(cc1F)n(Cc3cc4ccccc4nc3Cl)c(C(O)=O)c2C5=CC=CNC5=O
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)O)Cc4cc5ccccc5nc4Cl
SMILESOpenEye OEToolkits1.7.6Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)O)Cc4cc5ccccc5nc4Cl

227344

PDB entries from 2024-11-13

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