Chemical Components in the PDB

pdbe.org/chem
spacer

36G : Summary

Code

36G

One-letter code

X

Molecule name

N-(2-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(2-methoxyphenyl)-3,4-dihydroquinoline-1(2H)-carboxamide
OpenEye OEToolkits 1.9.2 N-(2-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide

Formula

C17 H18 N2 O2

Formal charge

0

Molecular weight

282.337 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(Nc1ccccc1OC)N3c2ccccc2CCC3
SMILES CACTVS 3.385 COc1ccccc1NC(=O)N2CCCc3ccccc23
SMILES OpenEye OEToolkits 1.9.2 COc1ccccc1NC(=O)N2CCCc3c2cccc3
Canonical SMILES CACTVS 3.385 COc1ccccc1NC(=O)N2CCCc3ccccc23
Canonical SMILES OpenEye OEToolkits 1.9.2 COc1ccccc1NC(=O)N2CCCc3c2cccc3

IUPAC InChI

InChI=1S/C17H18N2O2/c1-21-16-11-5-3-9-14(16)18-17(20)19-12-6-8-13-7-2-4-10-15(13)19/h2-5,7,9-11H,6,8,12H2,1H3,(H,18,20)

IUPAC InChI key

VGJHYDGTJKYGLB-UHFFFAOYSA-N
36G

wwPDB Information

Atom count

39 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-05-18

Last modified at

2014-09-05

Status

Released

Obsoleted

Not Assigned