Chemical Components in the PDB

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OSY : Summary

Code

OSY

One-letter code

X

Molecule name

7-[4-(aminomethyl)phenyl]-4-methylquinolin-2-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 7-[4-(aminomethyl)phenyl]-4-methylquinolin-2-amine
OpenEye OEToolkits 2.0.7 7-[4-(aminomethyl)phenyl]-4-methyl-quinolin-2-amine

Formula

C17 H17 N3

Formal charge

0

Molecular weight

263.337 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NCc1ccc(cc1)c2ccc3c(C)cc(N)nc3c2
SMILES CACTVS 3.385 Cc1cc(N)nc2cc(ccc12)c3ccc(CN)cc3
SMILES OpenEye OEToolkits 2.0.7 Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CN)N
Canonical SMILES CACTVS 3.385 Cc1cc(N)nc2cc(ccc12)c3ccc(CN)cc3
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CN)N

IUPAC InChI

InChI=1S/C17H17N3/c1-11-8-17(19)20-16-9-14(6-7-15(11)16)13-4-2-12(10-18)3-5-13/h2-9H,10,18H2,1H3,(H2,19,20)

IUPAC InChI key

ODOXISOTMVXLOX-UHFFFAOYSA-N
OSY

wwPDB Information

Atom count

37 (20 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-07-03

Last modified at

2020-04-24

Status

Released

Obsoleted

Not Assigned