![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
MXX : Summary
Code ![](/pdbe/static/images/help.png)
|
MXX
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
5,8-dimethoxy-1,4-dimethylquinolin-2(1H)-one
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C13 H15 N O3
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
233.263 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C2C=C(c1c(OC)ccc(OC)c1N2C)C |
SMILES
|
CACTVS |
3.341 |
COc1ccc(OC)c2C(=CC(=O)N(C)c12)C |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC1=CC(=O)N(c2c1c(ccc2OC)OC)C |
Canonical SMILES
|
CACTVS |
3.341 |
COc1ccc(OC)c2C(=CC(=O)N(C)c12)C |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
CC1=CC(=O)N(c2c1c(ccc2OC)OC)C |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C13H15NO3/c1-8-7-11(15)14(2)13-10(17-4)6-5-9(16-3)12(8)13/h5-7H,1-4H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | FTGZPMFPUDKJBX-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
32 (17 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Bound ligand
|
Type description ![](/pdbe/static/images/help.png)
|
NON-POLYMER
|
Type code ![](/pdbe/static/images/help.png)
|
HETAIN
|
Is modified ![](/pdbe/static/images/help.png)
|
No
|
Standard parent ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Defined at ![](/pdbe/static/images/help.png)
|
2009-02-18
|
Last modified at ![](/pdbe/static/images/help.png)
|
2011-06-04
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|