TL;DR: (1E)-4,4,6-trimethyl-1-(2-phenylhydrazinylidene)-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one (CAS 724778-68-1) is a chemical compound with molecular formula C20H19N3O and molecular weight 317.1528 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9,11,11-trimethyl-3-phenyldiazenyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-2-ol
Also Known As: (1E)-4,4,6-trimethyl-1-(2-phenylhydrazinylidene)-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one, (E)-4,4,6-trimethyl-1-(2-phenylhydrazono)-1H-pyrrolo[3,2,1-ij]quinolin-2(4H)-one, 4,4,6-TRIMETHYL-1-(2-PHENYLHYDRAZONO)-4H-PYRROLO[3,2,1-IJ]QUINOLIN-2(1H)-ONE
| Molecular Formula | C20H19N3O |
| Molecular Weight | 317.1528 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.1528 Da |
| Heavy Atoms | 24 |
| Complexity | 535.0 |
| SMILES | CC1=CC(N2C3=C(C=CC=C13)C(=C2O)N=NC4=CC=CC=C4)(C)C |
| InChIKey | KXJZMIKYTAJMDG-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that (1E)-4,4,6-trimethyl-1-(2-phenylhydrazinylidene)-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, (1E)-4,4,6-trimethyl-1-(2-phenylhydrazinylidene)-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1E)-4,4,6-trimethyl-1-(2-phenylhydrazinylidene)-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (1E)-4,4,6-trimethyl-1-(2-phenylhydrazinylidene)-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one is 724778-68-1.
The molecular formula of (1E)-4,4,6-trimethyl-1-(2-phenylhydrazinylidene)-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one is C20H19N3O.
The molecular weight of (1E)-4,4,6-trimethyl-1-(2-phenylhydrazinylidene)-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one is 317.1528 g/mol.
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