Chemical Components in the PDB

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8SY : Summary

Code

8SY

One-letter code

X

Molecule name

6-amino-1-methyl-3,4-dihydroquinolin-2(1H)-one

Systematic names

ProgramVersionName
ACDLabs 12.01 6-amino-1-methyl-3,4-dihydroquinolin-2(1H)-one
OpenEye OEToolkits 2.0.6 6-azanyl-1-methyl-3,4-dihydroquinolin-2-one

Formula

C10 H12 N2 O

Formal charge

0

Molecular weight

176.215 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N1(C(CCc2cc(ccc12)N)=O)C
SMILES CACTVS 3.385 CN1C(=O)CCc2cc(N)ccc12
SMILES OpenEye OEToolkits 2.0.6 CN1c2ccc(cc2CCC1=O)N
Canonical SMILES CACTVS 3.385 CN1C(=O)CCc2cc(N)ccc12
Canonical SMILES OpenEye OEToolkits 2.0.6 CN1c2ccc(cc2CCC1=O)N

IUPAC InChI

InChI=1S/C10H12N2O/c1-12-9-4-3-8(11)6-7(9)2-5-10(12)13/h3-4,6H,2,5,11H2,1H3

IUPAC InChI key

ULWJTPAOSJSHFG-UHFFFAOYSA-N
8SY

wwPDB Information

Atom count

25 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-03-03

Last modified at

2017-03-10

Status

Released

Obsoleted

Not Assigned