TL;DR: (5R)-5,6-Dihydro-5-(propylamino)-4H-imidazo(4,5,1-ij)quinolin-2(1H)-one (CAS 152886-85-6) is a chemical compound with molecular formula C13H17N3O and molecular weight 231.13716 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(10R)-10-(propylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
Also Known As: PNU-91356A, U 91356A, HY-U00227, U-91356A, U-91356
| Molecular Formula | C13H17N3O |
| Molecular Weight | 231.13716 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 44.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.13716 Da |
| Heavy Atoms | 17 |
| Complexity | 307.0 |
| SMILES | CCCN[C@@H]1CC2=C3C(=CC=C2)NC(=O)N3C1 |
| InChIKey | XTWUNLMHXDDOMD-SNVBAGLBSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5R)-5,6-Dihydro-5-(propylamino)-4H-imidazo(4,5,1-ij)quinolin-2(1H)-one. With a topological polar surface area (TPSA) of 44.4 Ų, (5R)-5,6-Dihydro-5-(propylamino)-4H-imidazo(4,5,1-ij)quinolin-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5R)-5,6-Dihydro-5-(propylamino)-4H-imidazo(4,5,1-ij)quinolin-2(1H)-one has 2 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 (5R)-5,6-Dihydro-5-(propylamino)-4H-imidazo(4,5,1-ij)quinolin-2(1H)-one is 152886-85-6.
The molecular formula of (5R)-5,6-Dihydro-5-(propylamino)-4H-imidazo(4,5,1-ij)quinolin-2(1H)-one is C13H17N3O.
The molecular weight of (5R)-5,6-Dihydro-5-(propylamino)-4H-imidazo(4,5,1-ij)quinolin-2(1H)-one is 231.13716 g/mol.
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