73Q
Summary
| Name: | 6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE |
| Formula: | C12 H10 Cl N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 263.68 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-chloro-9-hydroxy-1,3-dimethyl-1,9-dihydro-4H-pyrazolo[3,4-b]quinolin-4-one |
| OpenEye OEToolkits | 1.5.0 | 6-chloro-9-hydroxy-1,3-dimethyl-pyrazolo[5,4-b]quinolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc3cc2C(=O)c1c(nn(c1N(O)c2cc3)C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cn1nc(C)c2C(=O)c3cc(Cl)ccc3N(O)c12 |
| SMILES | CACTVS | 3.341 | Cn1nc(C)c2C(=O)c3cc(Cl)ccc3N(O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c2c(n(n1)C)N(c3ccc(cc3C2=O)Cl)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c2c(n(n1)C)N(c3ccc(cc3C2=O)Cl)O |
| InChI | InChI | 1.03 | InChI=1S/C12H10ClN3O2/c1-6-10-11(17)8-5-7(13)3-4-9(8)16(18)12(10)15(2)14-6/h3-5,18H,1-2H3 |
| InChIKey | InChI | 1.03 | AYKGPCNWPACUQV-UHFFFAOYSA-N |
