HQD
Summary
Name: | 3-HYDROXY-2-METHYLQUINOLIN-4(1H)-ONE |
Formula: | C10 H9 N O2 |
Formal charge: | 0 |
Formula weight: | 175.184 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 3-hydroxy-2-methylquinolin-4(1H)-one |
OpenEye OEToolkits | 1.6.1 | 3-hydroxy-2-methyl-1H-quinolin-4-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2c1c(cccc1)NC(=C2O)C |
SMILES_CANONICAL | CACTVS | 3.352 | CC1=C(O)C(=O)c2ccccc2N1 |
SMILES | CACTVS | 3.352 | CC1=C(O)C(=O)c2ccccc2N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC1=C(C(=O)c2ccccc2N1)O |
SMILES | OpenEye OEToolkits | 1.6.1 | CC1=C(C(=O)c2ccccc2N1)O |
InChI | InChI | 1.03 | InChI=1S/C10H9NO2/c1-6-9(12)10(13)7-4-2-3-5-8(7)11-6/h2-5,12H,1H3,(H,11,13) |
InChIKey | InChI | 1.03 | FSCXZVPPDJYLDD-UHFFFAOYSA-N |