Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

S05

Summary
Name:3,4-dihydroquinolin-1(2H)-yl[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone
Formula:C18 H22 N4 O
Formal charge:0
Formula weight:310.393 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013,4-dihydroquinolin-1(2H)-yl[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone
OpenEye OEToolkits1.7.03,4-dihydro-2H-quinolin-1-yl-[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N2c1ccccc1CCC2)N4CCC(c3cncn3)CC4
SMILES_CANONICALCACTVS3.370O=C(N1CCC(CC1)c2[nH]cnc2)N3CCCc4ccccc34
SMILESCACTVS3.370O=C(N1CCC(CC1)c2[nH]cnc2)N3CCCc4ccccc34
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc2c(c1)CCCN2C(=O)N3CCC(CC3)c4cnc[nH]4
SMILESOpenEye OEToolkits1.7.0c1ccc2c(c1)CCCN2C(=O)N3CCC(CC3)c4cnc[nH]4
InChIInChI1.03InChI=1S/C18H22N4O/c23-18(22-9-3-5-15-4-1-2-6-17(15)22)21-10-7-14(8-11-21)16-12-19-13-20-16/h1-2,4,6,12-14H,3,5,7-11H2,(H,19,20)
InChIKeyInChI1.03UTSIHHDNMUZNMG-UHFFFAOYSA-N

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon