1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-((tetrahydrofuran-2-yl)methyl)-1,4-dihydroquinoline-3-carboxamide
TL;DR: 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-((tetrahydrofuran-2-yl)methyl)-1,4-dihydroquinoline-3-carboxamide (CAS 371941-18-3) is a chemical compound with molecular formula C22H29FN4O3 and molecular weight 416.22 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-(oxolan-2-ylmethyl)quinoline-3-carboxamide
Also Known As: 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-((tetrahydrofuran-2-yl)methyl)-1,4-dihydroquinoline-3-carboxamide, 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide, 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-(tetrahydrofuran-2-ylmethyl)-1,4-dihydroquinoline-3-carboxamide
| Molecular Formula | C22H29FN4O3 |
|---|---|
| Molecular Weight | 416.22 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.22238 |
| Heavy Atoms | 30 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 371941-18-3 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)NCC4CCCO4 |
| InChIKey | PEGHIALUVOERBX-UHFFFAOYSA-N |
Product Overview
1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-((tetrahydrofuran-2-yl)methyl)-1,4-dihydroquinoline-3-carboxamide (CAS 371941-18-3), with molecular formula C22H29FN4O3 and molecular weight 416.22 g/mol. IUPAC: 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide.
Chemical Property Profile of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-((tetrahydrofuran-2-yl)methyl)-1,4-dihydroquinoline-3-carboxamide
Property Insights of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-((tetrahydrofuran-2-yl)methyl)-1,4-dihydroquinoline-3-carboxamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-((tetrahydrofuran-2-yl)methyl)-1,4-dihydroquinoline-3-carboxamide. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-((tetrahydrofuran-2-yl)methyl)-1,4-dihydroquinoline-3-carboxamide. Following Lipinski's Rule of Five, 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-((tetrahydrofuran-2-yl)methyl)-1,4-dihydroquinoline-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-((tetrahydrofuran-2-yl)methyl)-1,4-dihydroquinoline-3-carboxamide?
The CAS number of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-((tetrahydrofuran-2-yl)methyl)-1,4-dihydroquinoline-3-carboxamide is 371941-18-3.
What is the molecular formula of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-((tetrahydrofuran-2-yl)methyl)-1,4-dihydroquinoline-3-carboxamide?
The molecular formula of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-((tetrahydrofuran-2-yl)methyl)-1,4-dihydroquinoline-3-carboxamide is C22H29FN4O3.
What is the molecular weight of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-((tetrahydrofuran-2-yl)methyl)-1,4-dihydroquinoline-3-carboxamide?
The molecular weight of 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-((tetrahydrofuran-2-yl)methyl)-1,4-dihydroquinoline-3-carboxamide is 416.22 g/mol.
Where can I buy 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-((tetrahydrofuran-2-yl)methyl)-1,4-dihydroquinoline-3-carboxamide?
You can request a quote for 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-((tetrahydrofuran-2-yl)methyl)-1,4-dihydroquinoline-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-((tetrahydrofuran-2-yl)methyl)-1,4-dihydroquinoline-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-N-((tetrahydrofuran-2-yl)methyl)-1,4-dihydroquinoline-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.