Chemical Components in the PDB

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8T1 : Summary

Code

8T1

One-letter code

X

Molecule name

6-amino-1-methylquinolin-2(1H)-one

Systematic names

ProgramVersionName
ACDLabs 12.01 6-amino-1-methylquinolin-2(1H)-one
OpenEye OEToolkits 2.0.6 6-azanyl-1-methyl-quinolin-2-one

Formula

C10 H10 N2 O

Formal charge

0

Molecular weight

174.199 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N1(C)C(=O)C=Cc2c1ccc(c2)N
SMILES CACTVS 3.385 CN1C(=O)C=Cc2cc(N)ccc12
SMILES OpenEye OEToolkits 2.0.6 CN1c2ccc(cc2C=CC1=O)N
Canonical SMILES CACTVS 3.385 CN1C(=O)C=Cc2cc(N)ccc12
Canonical SMILES OpenEye OEToolkits 2.0.6 CN1c2ccc(cc2C=CC1=O)N

IUPAC InChI

InChI=1S/C10H10N2O/c1-12-9-4-3-8(11)6-7(9)2-5-10(12)13/h2-6H,11H2,1H3

IUPAC InChI key

WGTBBJJGFRSXDZ-UHFFFAOYSA-N
8T1

wwPDB Information

Atom count

23 (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