TL;DR: 5-chloro-5-phenyl-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-4,6(5H)-dione (CAS 128099-87-6) is a chemical compound with molecular formula C17H12ClNO2 and molecular weight 297.05566 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
10-chloro-10-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-9,11-dione
Also Known As: 5-chloro-5-phenyl-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-4,6(5H)-dione, AE-406/41056467, 10-chloro-10-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-9,11-dione
| Molecular Formula | C17H12ClNO2 |
| Molecular Weight | 297.05566 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 297.05566 Da |
| Heavy Atoms | 21 |
| Complexity | 473.0 |
| SMILES | C1CN2C3=C1C=CC=C3C(=O)C(C2=O)(C4=CC=CC=C4)Cl |
| InChIKey | RUCTUGJXTDZHSO-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 5-chloro-5-phenyl-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-4,6(5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, 5-chloro-5-phenyl-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-4,6(5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-5-phenyl-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-4,6(5H)-dione has 0 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 5-chloro-5-phenyl-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-4,6(5H)-dione is 128099-87-6.
The molecular formula of 5-chloro-5-phenyl-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-4,6(5H)-dione is C17H12ClNO2.
The molecular weight of 5-chloro-5-phenyl-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-4,6(5H)-dione is 297.05566 g/mol.
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