TL;DR: (1Z)-4,4,6-trimethyl-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one (CAS 1164467-31-5) is a chemical compound with molecular formula C23H20N2O2S2 and molecular weight 420.09662 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-2-sulfanylidene-5-(9,11,11-trimethyl-2-oxo-9-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-ylidene)-1,3-thiazolidin-4-one
Also Known As: (1Z)-4,4,6-trimethyl-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one, (5Z)-2-thioxo-5-(trimethyl-oxo-phenyl-[?]ylidene)thiazolidin-4-one, (Z)-2-thioxo-5-(4,4,6-trimethyl-2-oxo-6-phenyl-2,4,5,6-tetrahydro-1H-pyrrolo[3,2,1-ij]quinolin-1-ylidene)thiazolidin-4-one, 4,4,6-Trimethyl-1-[4-oxo-2-thioxo-thiazolidin-(5Z)-ylidene]-6-phenyl-5,6-dihydro-1H,4H-pyrrolo[3,2,1-ij]quinolin-2-one, (1Z)-1-(4-hydroxy-2-thioxo-1,3-thiazol-5(2H)-ylidene)-4,4,6-trimethyl-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
| Molecular Formula | C23H20N2O2S2 |
| Molecular Weight | 420.09662 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 420.09662 Da |
| Heavy Atoms | 29 |
| Complexity | 814.0 |
| SMILES | CC1(CC(C2=CC=CC\3=C2N1C(=O)/C3=C\4/C(=O)NC(=S)S4)(C)C5=CC=CC=C5)C |
| InChIKey | GGUKORRAAAWTGU-VLGSPTGOSA-N |
The XLogP value of 4.7 indicates that (1Z)-4,4,6-trimethyl-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (1Z)-4,4,6-trimethyl-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one. Following Lipinski's Rule of Five, (1Z)-4,4,6-trimethyl-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one has 1 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 (1Z)-4,4,6-trimethyl-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one is 1164467-31-5.
The molecular formula of (1Z)-4,4,6-trimethyl-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one is C23H20N2O2S2.
The molecular weight of (1Z)-4,4,6-trimethyl-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-6-phenyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one is 420.09662 g/mol.
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