2-(4-methyl-1,4-diazepan-1-yl)-6-[2-(4-methylphenyl)acetamido]quinoline-4-carboxylic acid--hydrogen chloride (1/2)
Chemical Structure Depiction of
2-(4-methyl-1,4-diazepan-1-yl)-6-[2-(4-methylphenyl)acetamido]quinoline-4-carboxylic acid--hydrogen chloride (1/2)
2-(4-methyl-1,4-diazepan-1-yl)-6-[2-(4-methylphenyl)acetamido]quinoline-4-carboxylic acid--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | F723-0029 |
| Compound Name: | 2-(4-methyl-1,4-diazepan-1-yl)-6-[2-(4-methylphenyl)acetamido]quinoline-4-carboxylic acid--hydrogen chloride (1/2) |
| Molecular Weight: | 505.44 |
| Molecular Formula: | C25 H28 N4 O3 |
| Salt: | 2HCl |
| Smiles: | Cc1ccc(CC(Nc2ccc3c(c2)c(cc(n3)N2CCCN(C)CC2)C(O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2932 |
| logD: | 4.2932 |
| logSw: | -4.1691 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.579 |
| InChI Key: | VQRXUSJGWNDGSX-UHFFFAOYSA-N |