TL;DR: 2-(4-bromophenyl)-N-(2,5-difluorophenyl)quinoline-4-carboxamide (CAS 445021-98-7) is a chemical compound with molecular formula C22H13BrF2N2O and molecular weight 438.01794 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-bromophenyl)-N-(2,5-difluorophenyl)quinoline-4-carboxamide
Also Known As: 2-(4-bromophenyl)-N-(2,5-difluorophenyl)quinoline-4-carboxamide, 2-(4-bromophenyl)-N-(2,5-difluorophenyl)-4-quinolinecarboxamide, N-(2,5-difluorophenyl)[2-(4-bromophenyl)(4-quinolyl)]carboxamide
| Molecular Formula | C22H13BrF2N2O |
| Molecular Weight | 438.01794 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 438.01794 Da |
| Heavy Atoms | 28 |
| Complexity | 543.0 |
| SMILES | C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)NC4=C(C=CC(=C4)F)F |
| InChIKey | BRUZKLAEMWRRBG-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that 2-(4-bromophenyl)-N-(2,5-difluorophenyl)quinoline-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, 2-(4-bromophenyl)-N-(2,5-difluorophenyl)quinoline-4-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-bromophenyl)-N-(2,5-difluorophenyl)quinoline-4-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(4-bromophenyl)-N-(2,5-difluorophenyl)quinoline-4-carboxamide is 445021-98-7.
The molecular formula of 2-(4-bromophenyl)-N-(2,5-difluorophenyl)quinoline-4-carboxamide is C22H13BrF2N2O.
The molecular weight of 2-(4-bromophenyl)-N-(2,5-difluorophenyl)quinoline-4-carboxamide is 438.01794 g/mol.
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