TL;DR: 7-(benzylamino)-6-ethyl-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one (CAS 110229-54-4) is a chemical compound with molecular formula C21H22N2O and molecular weight 318.17322 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(benzylamino)-3-ethyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one
Also Known As: Maybridge3_004472, IDI1_015859, 4-(Benzylamino)-3-ethyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one, 7-(benzylamino)-6-ethyl-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one
| Molecular Formula | C21H22N2O |
| Molecular Weight | 318.17322 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.17322 Da |
| Heavy Atoms | 24 |
| Complexity | 506.0 |
| SMILES | CCC1=C(C2=CC=CC3=C2N(C1=O)CCC3)NCC4=CC=CC=C4 |
| InChIKey | NDULSCDJXRZIEW-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 7-(benzylamino)-6-ethyl-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, 7-(benzylamino)-6-ethyl-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(benzylamino)-6-ethyl-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one 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 7-(benzylamino)-6-ethyl-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one is 110229-54-4.
The molecular formula of 7-(benzylamino)-6-ethyl-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one is C21H22N2O.
The molecular weight of 7-(benzylamino)-6-ethyl-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one is 318.17322 g/mol.
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