TL;DR: 4-Chloro-2-oxo-1,2-dihydroquinoline-3-carbaldehyde (CAS 100517-42-8) is a chemical compound with molecular formula C10H6ClNO2 and molecular weight 207.00871 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-2-oxo-1H-quinoline-3-carbaldehyde
Also Known As: 4-Chloro-2-hydroxyquinoline-3-carbaldehyde, 4-chloro-2-oxo-1,2-dihydroquinoline-3-carbaldehyde, 4-chloro-2-oxo-1H-quinoline-3-carbaldehyde, 4-chloro-3-formylquinolin-2(1H)one, 3-Quinolinecarboxaldehyde, 4-chloro-1,2-dihydro-2-oxo-
| Molecular Formula | C10H6ClNO2 |
| Molecular Weight | 207.00871 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.00871 Da |
| Heavy Atoms | 14 |
| Complexity | 311.0 |
| SMILES | C1=CC=C2C(=C1)C(=C(C(=O)N2)C=O)Cl |
| InChIKey | YOPNXXIYWLPSPA-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-oxo-1,2-dihydroquinoline-3-carbaldehyde. With a topological polar surface area (TPSA) of 46.2 Ų, 4-Chloro-2-oxo-1,2-dihydroquinoline-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-oxo-1,2-dihydroquinoline-3-carbaldehyde has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Chloro-2-oxo-1,2-dihydroquinoline-3-carbaldehyde is 100517-42-8.
The molecular formula of 4-Chloro-2-oxo-1,2-dihydroquinoline-3-carbaldehyde is C10H6ClNO2.
The molecular weight of 4-Chloro-2-oxo-1,2-dihydroquinoline-3-carbaldehyde is 207.00871 g/mol.
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