TL;DR: 1-[3-(2,8-Dimethyl-quinolin-4-ylamino)-phenyl]-ethanone (CAS 1043470-88-7) is a chemical compound with molecular formula C19H19ClN2O and molecular weight 326.1186 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-[(2,8-dimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride
Also Known As: 1-[3-(2,8-Dimethyl-quinolin-4-ylamino)-phenyl]-ethanone, 1-[3-[(2,8-dimethylquinolin-4-yl)amino]phenyl]ethanone Hydrochloride, 1-acetyl-3-[(2,8-dimethyl(4-quinolyl))amino]benzene, chloride, 1-(3-((2,8-dimethylquinolin-4-yl)amino)phenyl)ethanone hydrochloride, 1-[3-[(2,8-dimethylquinolin-4-yl)amino]phenyl]ethanone;hydrochloride
| Molecular Formula | C19H19ClN2O |
| Molecular Weight | 326.1186 g/mol |
| XLogP | 5.21964 |
| Topological Polar Surface Area (TPSA) | 42.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.1186 Da |
| Heavy Atoms | 23 |
| Complexity | 397.0 |
| SMILES | CC1=C2C(=CC=C1)C(=CC(=N2)C)NC3=CC=CC(=C3)C(=O)C.Cl |
| InChIKey | KMOGKMTVPACMGJ-UHFFFAOYSA-N |
The XLogP value of 5.21964 indicates that 1-[3-(2,8-Dimethyl-quinolin-4-ylamino)-phenyl]-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, 1-[3-(2,8-Dimethyl-quinolin-4-ylamino)-phenyl]-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-(2,8-Dimethyl-quinolin-4-ylamino)-phenyl]-ethanone has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-[3-(2,8-Dimethyl-quinolin-4-ylamino)-phenyl]-ethanone is 1043470-88-7.
The molecular formula of 1-[3-(2,8-Dimethyl-quinolin-4-ylamino)-phenyl]-ethanone is C19H19ClN2O.
The molecular weight of 1-[3-(2,8-Dimethyl-quinolin-4-ylamino)-phenyl]-ethanone is 326.1186 g/mol.
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