Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

RTH

Summary
Name:6-[2-(3,3-dimethylbut-1-yn-1-yl)phenyl]quinolin-2-amine
Formula:C21 H20 N2
Formal charge:0
Formula weight:300.397 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-[2-(3,3-dimethylbut-1-yn-1-yl)phenyl]quinolin-2-amine
OpenEye OEToolkits1.7.26-[2-(3,3-dimethylbut-1-ynyl)phenyl]quinolin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(#Cc3ccccc3c1ccc2nc(ccc2c1)N)C(C)(C)C
SMILES_CANONICALCACTVS3.370CC(C)(C)C#Cc1ccccc1c2ccc3nc(N)ccc3c2
SMILESCACTVS3.370CC(C)(C)C#Cc1ccccc1c2ccc3nc(N)ccc3c2
SMILES_CANONICALOpenEye OEToolkits1.7.2CC(C)(C)C#Cc1ccccc1c2ccc3c(c2)ccc(n3)N
SMILESOpenEye OEToolkits1.7.2CC(C)(C)C#Cc1ccccc1c2ccc3c(c2)ccc(n3)N
InChIInChI1.03InChI=1S/C21H20N2/c1-21(2,3)13-12-15-6-4-5-7-18(15)16-8-10-19-17(14-16)9-11-20(22)23-19/h4-11,14H,1-3H3,(H2,22,23)
InChIKeyInChI1.03IFUYBWIZKMAADM-UHFFFAOYSA-N

222415

数据于2024-07-10公开中

PDB statisticsPDBj update infoContact PDBjnumon