TL;DR: 3-Isoquinolinecarboxamide, N-(2-(dimethylamino)ethyl)-1-methoxy-4-phenyl- (CAS 78945-78-5) is a chemical compound with molecular formula C21H23N3O2 and molecular weight 349.17902 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(dimethylamino)ethyl]-1-methoxy-4-phenylisoquinoline-3-carboxamide
Also Known As: 3-ISOQUINOLINECARBOXAMIDE, N-(2-(DIMETHYLAMINO)ETHYL)-1-METHOXY-4-PHENYL-, Dimetilamminoetilammido della 1-metossi-3-carbossi-4-fenilisochinolina [Italian], N-(2-(Dimethylamino)ethyl)-1-methoxy-4-phenyl-3-isoquinolinecarboxamide, Dimetilamminoetilammido della 1-metossi-3-carbossi-4-fenilisochinolina, N-(2-dimethylaminoethyl)-1-methoxy-4-phenylisoquinoline-3-carboxamide
| Molecular Formula | C21H23N3O2 |
| Molecular Weight | 349.17902 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 54.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.17902 Da |
| Heavy Atoms | 26 |
| Complexity | 451.0 |
| SMILES | CN(C)CCNC(=O)C1=C(C2=CC=CC=C2C(=N1)OC)C3=CC=CC=C3 |
| InChIKey | DTGPKWDUELKICH-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 3-Isoquinolinecarboxamide, N-(2-(dimethylamino)ethyl)-1-methoxy-4-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, 3-Isoquinolinecarboxamide, N-(2-(dimethylamino)ethyl)-1-methoxy-4-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isoquinolinecarboxamide, N-(2-(dimethylamino)ethyl)-1-methoxy-4-phenyl- 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 3-Isoquinolinecarboxamide, N-(2-(dimethylamino)ethyl)-1-methoxy-4-phenyl- is 78945-78-5.
The molecular formula of 3-Isoquinolinecarboxamide, N-(2-(dimethylamino)ethyl)-1-methoxy-4-phenyl- is C21H23N3O2.
The molecular weight of 3-Isoquinolinecarboxamide, N-(2-(dimethylamino)ethyl)-1-methoxy-4-phenyl- is 349.17902 g/mol.
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