1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
TL;DR: 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide (CAS 371950-35-5) is a chemical compound with molecular formula C22H27FN6O2S and molecular weight 458.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
Also Known As: 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide, 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1,4-dihydroquinoline-3-carboxamide, 1-ethyl-6-fluoro-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
| Molecular Formula | C22H27FN6O2S |
|---|---|
| Molecular Weight | 458.19 g/mol |
| LogP | 3.1395 |
| Topological Polar Surface Area | 83.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.19003 |
| Heavy Atoms | 32 |
| Complexity | 1213.0868 |
Chemical Identifiers
| CAS Number | 371950-35-5 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)NC4=NN=C(S4)C(C)C |
Product Overview
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide (CAS 371950-35-5), with molecular formula C22H27FN6O2S and molecular weight 458.19 g/mol. IUPAC: 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide.
Chemical Property Profile of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
Property Insights of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
The XLogP value of 3.1395 indicates that 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide. Following Lipinski's Rule of Five, 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide?
The CAS number of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide is 371950-35-5.
What is the molecular formula of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide?
The molecular formula of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide is C22H27FN6O2S.
What is the molecular weight of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide?
The molecular weight of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide is 458.19 g/mol.
Where can I buy 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide?
You can request a quote for 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.