Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

A1BY2

Summary
Name:(3P)-6-bromo-2-hydroxy-3-(isoquinolin-4-yl)quinolin-4(1H)-one
Formula:C18 H11 Br N2 O2
Formal charge:0
Formula weight:367.196 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3P)-6-bromo-2-hydroxy-3-(isoquinolin-4-yl)quinolin-4(1H)-one
OpenEye OEToolkits3.1.0.06-bromanyl-3-isoquinolin-4-yl-2-oxidanyl-1~{H}-quinolin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Brc1ccc2NC(O)=C(C(=O)c2c1)c1cncc2ccccc21
InChIInChI1.06InChI=1S/C18H11BrN2O2/c19-11-5-6-15-13(7-11)17(22)16(18(23)21-15)14-9-20-8-10-3-1-2-4-12(10)14/h1-9H,(H2,21,22,23)
InChIKeyInChI1.06JGLHSEXDGKIYJL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC1=C(C(=O)c2cc(Br)ccc2N1)c3cncc4ccccc34
SMILESCACTVS3.385OC1=C(C(=O)c2cc(Br)ccc2N1)c3cncc4ccccc34
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc2c(c1)cncc2C3=C(Nc4ccc(cc4C3=O)Br)O
SMILESOpenEye OEToolkits3.1.0.0c1ccc2c(c1)cncc2C3=C(Nc4ccc(cc4C3=O)Br)O

251422

PDB entries from 2026-04-01

PDB statisticsPDBj update infoContact PDBjnumon