5F6
Summary
| Name: | (2,6-dichlorophenyl)(quinolin-6-yl)methanone |
| Formula: | C16 H9 Cl2 N O |
| Formal charge: | 0 |
| Formula weight: | 302.155 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2,6-dichlorophenyl)(quinolin-6-yl)methanone |
| OpenEye OEToolkits | 1.9.2 | [2,6-bis(chloranyl)phenyl]-quinolin-6-yl-methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(cccc(c1C(c2ccc3c(c2)cccn3)=O)Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C16H9Cl2NO/c17-12-4-1-5-13(18)15(12)16(20)11-6-7-14-10(9-11)3-2-8-19-14/h1-9H |
| InChIKey | InChI | 1.03 | LMXZTTBPURRZTL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(Cl)c1C(=O)c2ccc3ncccc3c2 |
| SMILES | CACTVS | 3.385 | Clc1cccc(Cl)c1C(=O)c2ccc3ncccc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c(c(c1)Cl)C(=O)c2ccc3c(c2)cccn3)Cl |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(c(c1)Cl)C(=O)c2ccc3c(c2)cccn3)Cl |
