1-(2-Methyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
TL;DR: 1-(2-Methyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one (CAS 16078-42-5) is a chemical compound with molecular formula C12H15NO and molecular weight 189.11537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
Also Known As: NCIOpen2_000381, 1-acetyl-2-methyl-1,2,3,4-tetrahydroquinoline, 1-(2-methyl-3,4-dihydroquinolin-1(2H)-yl)ethanone, 1-Acetyl-1,2,3,4-tetrahydro-quinaldine, 1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
Technical Specifications
| Molecular Formula | C12H15NO |
| Molecular Weight | 189.11537 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.11537 Da |
| Heavy Atoms | 14 |
| Complexity | 226.0 |
| SMILES | CC1CCC2=CC=CC=C2N1C(=O)C |
| InChIKey | IJTWYLGCGAIGAQ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-Methyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
Property Insights of 1-(2-Methyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Methyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(2-Methyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Methyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(2-Methyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one?
The CAS number of 1-(2-Methyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one is 16078-42-5.
What is the molecular formula of 1-(2-Methyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one?
The molecular formula of 1-(2-Methyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one is C12H15NO.
What is the molecular weight of 1-(2-Methyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one?
The molecular weight of 1-(2-Methyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one is 189.11537 g/mol.
Where can I buy 1-(2-Methyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one?
You can request a quote for 1-(2-Methyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-Methyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(2-Methyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.