3-(2-(dimethylamino)ethyl)-2H-isoquinolin-1-one
TL;DR: 3-(2-(dimethylamino)ethyl)-2H-isoquinolin-1-one (CAS 1026150-98-0) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.12627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-(dimethylamino)ethyl]-2H-isoquinolin-1-one
Also Known As: 1(2H)-Isoquinolinone, 3-[2-(dimethylamino)ethyl]-, 3-(2-dimethylaminoethyl)-2H-isoquinolin-1-one, 3-(2-(dimethylamino)ethyl)-2H-isoquinolin-1-one
Technical Specifications
| Molecular Formula | C13H16N2O |
| Molecular Weight | 216.12627 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.12627 Da |
| Heavy Atoms | 16 |
| Complexity | 296.0 |
| SMILES | CN(C)CCC1=CC2=CC=CC=C2C(=O)N1 |
| InChIKey | ONWGTQPMXWVQPD-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-(dimethylamino)ethyl)-2H-isoquinolin-1-one
Property Insights of 3-(2-(dimethylamino)ethyl)-2H-isoquinolin-1-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-(dimethylamino)ethyl)-2H-isoquinolin-1-one. With a topological polar surface area (TPSA) of 32.3 Ų, 3-(2-(dimethylamino)ethyl)-2H-isoquinolin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-(dimethylamino)ethyl)-2H-isoquinolin-1-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2-(dimethylamino)ethyl)-2H-isoquinolin-1-one?
The CAS number of 3-(2-(dimethylamino)ethyl)-2H-isoquinolin-1-one is 1026150-98-0.
What is the molecular formula of 3-(2-(dimethylamino)ethyl)-2H-isoquinolin-1-one?
The molecular formula of 3-(2-(dimethylamino)ethyl)-2H-isoquinolin-1-one is C13H16N2O.
What is the molecular weight of 3-(2-(dimethylamino)ethyl)-2H-isoquinolin-1-one?
The molecular weight of 3-(2-(dimethylamino)ethyl)-2H-isoquinolin-1-one is 216.12627 g/mol.
Where can I buy 3-(2-(dimethylamino)ethyl)-2H-isoquinolin-1-one?
You can request a quote for 3-(2-(dimethylamino)ethyl)-2H-isoquinolin-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-(dimethylamino)ethyl)-2H-isoquinolin-1-one?
Yes, CoreyChem provides custom synthesis services for 3-(2-(dimethylamino)ethyl)-2H-isoquinolin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.