MVN
6-chloro-4-methyl-1H-quinolin-2-one
Created: | 2014-02-26 |
Last modified: | 2015-02-11 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 21 |
Chiral Atom Count | 0 |
Bond Count | 22 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
---|---|
Name | 6-chloro-4-methyl-1H-quinolin-2-one |
Systematic Name (OpenEye OEToolkits) | 6-chloranyl-4-methyl-1H-quinolin-2-one |
Formula | C10 H8 Cl N O |
Molecular Weight | 193.63 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc2ccc1c(C(=CC(=O)N1)C)c2 |
SMILES | CACTVS | 3.385 | CC1=CC(=O)Nc2ccc(Cl)cc12 |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1=CC(=O)Nc2c1cc(cc2)Cl |
Canonical SMILES | CACTVS | 3.385 | CC1=CC(=O)Nc2ccc(Cl)cc12 |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | CC1=CC(=O)Nc2c1cc(cc2)Cl |
InChI | InChI | 1.03 | InChI=1S/C10H8ClNO/c1-6-4-10(13)12-9-3-2-7(11)5-8(6)9/h2-5H,1H3,(H,12,13) |
InChIKey | InChI | 1.03 | VQMIYHVFVPSLGB-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 606322 |
ChEMBL | CHEMBL1581299 |