2-[6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4,4-dimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene]hydrazine-1-carboximidamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-[6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4,4-dimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene]hydrazine-1-carboximidamide--hydrogen chloride (1/1)
2-[6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4,4-dimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene]hydrazine-1-carboximidamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | Y021-2777 |
| Compound Name: | 2-[6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4,4-dimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene]hydrazine-1-carboximidamide--hydrogen chloride (1/1) |
| Molecular Weight: | 498 |
| Molecular Formula: | C25 H28 F N7 O |
| Salt: | HCl |
| Smiles: | CC1(C)C=C(CN2CCN(CC2)c2ccc(cc2)F)c2cccc3\C(C(N1c23)=O)=N/NC(N)=N |
| Stereo: | ACHIRAL |
| logP: | 2.7542 |
| logD: | -3.6374 |
| logSw: | -3.342 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 83.314 |
| InChI Key: | COMLLIQYQYRJAB-XHLNEMQHSA-N |