TL;DR: (E)-3-(2-chloro-7-ethoxyquinolin-3-yl)-1-(furan-2-yl)prop-2-en-1-one (CAS 1164462-61-6) is a chemical compound with molecular formula C18H14ClNO3 and molecular weight 327.06622 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(2-chloro-7-ethoxyquinolin-3-yl)-1-(furan-2-yl)prop-2-en-1-one
Also Known As: (E)-3-(2-chloro-7-ethoxyquinolin-3-yl)-1-(furan-2-yl)prop-2-en-1-one, 3-(2-chloro-7-ethoxy-3-quinolinyl)-1-(2-furyl)-2-propen-1-one, AP-845/42065528, (E)-3-(2-Chloro-7-ethoxy-quinolin-3-yl)-1-furan-2-yl-propenone, (2E)-3-(2-chloro-7-ethoxyquinolin-3-yl)-1-(furan-2-yl)prop-2-en-1-one
| Molecular Formula | C18H14ClNO3 |
| Molecular Weight | 327.06622 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.06622 Da |
| Heavy Atoms | 23 |
| Complexity | 442.0 |
| SMILES | CCOC1=CC2=NC(=C(C=C2C=C1)/C=C/C(=O)C3=CC=CO3)Cl |
| InChIKey | YWXGZDZAWBREOQ-SOFGYWHQSA-N |
The XLogP value of 4.7 indicates that (E)-3-(2-chloro-7-ethoxyquinolin-3-yl)-1-(furan-2-yl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, (E)-3-(2-chloro-7-ethoxyquinolin-3-yl)-1-(furan-2-yl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(2-chloro-7-ethoxyquinolin-3-yl)-1-(furan-2-yl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-3-(2-chloro-7-ethoxyquinolin-3-yl)-1-(furan-2-yl)prop-2-en-1-one is 1164462-61-6.
The molecular formula of (E)-3-(2-chloro-7-ethoxyquinolin-3-yl)-1-(furan-2-yl)prop-2-en-1-one is C18H14ClNO3.
The molecular weight of (E)-3-(2-chloro-7-ethoxyquinolin-3-yl)-1-(furan-2-yl)prop-2-en-1-one is 327.06622 g/mol.
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