Chemical Components in the PDB

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6M8 : Summary

Code

6M8

One-letter code

X

Molecule name

7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.6 7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine

Formula

C20 H23 N3 O

Formal charge

0

Molecular weight

321.416 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN(C)CCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
SMILES OpenEye OEToolkits 1.7.6 CN(C)CCc1cccc(c1)OCc2ccc3ccc(nc3c2)N
Canonical SMILES CACTVS 3.385 CN(C)CCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
Canonical SMILES OpenEye OEToolkits 1.7.6 CN(C)CCc1cccc(c1)OCc2ccc3ccc(nc3c2)N

IUPAC InChI

InChI=1S/C20H23N3O/c1-23(2)11-10-15-4-3-5-18(12-15)24-14-16-6-7-17-8-9-20(21)22-19(17)13-16/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)

IUPAC InChI key

TTZAIJYOUAIUID-UHFFFAOYSA-N
6M8

wwPDB Information

Atom count

47 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-08-20

Last modified at

2015-10-23

Status

Released

Obsoleted

Not Assigned