TL;DR: N-(4-(Bis(2-hydroxyethyl)amino)phenyl)-4-(4-quinolinylamino)benzamide dihydrochloride (CAS 133041-51-7) is a chemical compound with molecular formula C26H28Cl2N4O3 and molecular weight 514.1539 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-[bis(2-hydroxyethyl)amino]phenyl]-4-(quinolin-4-ylamino)benzamide;dihydrochloride
Also Known As: N-(4-(Bis(2-hydroxyethyl)amino)phenyl)-4-(4-quinolinylamino)benzamide dihydrochloride, N-[4-(bis(2-hydroxyethyl)amino)phenyl]-4-(quinolin-4-ylamino)benzamide dihydrochloride, N-[4-[bis(2-hydroxyethyl)amino]phenyl]-4-(quinolin-4-ylamino)benzamide;dihydrochloride, 2-[2-(5-Bromo-1H-indol-3-yl)ethyl]-3-[3-(1-methylethoxy )phenyl]-4-(3H)-quinazolinone, N-[4-[bis(2-hydroxyethyl)amino]phenyl]-4-(quinolin-4-ylamino)benzamide dihydrochloride
| Molecular Formula | C26H28Cl2N4O3 |
| Molecular Weight | 514.1539 g/mol |
| XLogP | 4.8653 |
| Topological Polar Surface Area (TPSA) | 97.7 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 514.1539 Da |
| Heavy Atoms | 35 |
| Complexity | 584.0 |
| SMILES | C1=CC=C2C(=C1)C(=CC=N2)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N(CCO)CCO.Cl.Cl |
| InChIKey | LMQJOXDWOIKNQM-UHFFFAOYSA-N |
The XLogP value of 4.8653 indicates that N-(4-(Bis(2-hydroxyethyl)amino)phenyl)-4-(4-quinolinylamino)benzamide dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-(Bis(2-hydroxyethyl)amino)phenyl)-4-(4-quinolinylamino)benzamide dihydrochloride. Following Lipinski's Rule of Five, N-(4-(Bis(2-hydroxyethyl)amino)phenyl)-4-(4-quinolinylamino)benzamide dihydrochloride has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-(4-(Bis(2-hydroxyethyl)amino)phenyl)-4-(4-quinolinylamino)benzamide dihydrochloride is 133041-51-7.
The molecular formula of N-(4-(Bis(2-hydroxyethyl)amino)phenyl)-4-(4-quinolinylamino)benzamide dihydrochloride is C26H28Cl2N4O3.
The molecular weight of N-(4-(Bis(2-hydroxyethyl)amino)phenyl)-4-(4-quinolinylamino)benzamide dihydrochloride is 514.1539 g/mol.
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