4-(5-bromothiophen-2-yl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
TL;DR: 4-(5-bromothiophen-2-yl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CAS 444931-58-2) is a chemical compound with molecular formula C21H20BrN3O2S and molecular weight 457.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-bromothiophen-2-yl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Also Known As: 4-(5-bromothiophen-2-yl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide, 4-(5-BROMO-2-THIENYL)-2-METHYL-N-(4-METHYL-2-PYRIDYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE, 4-(5-bromothien-2-yl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide, 4-(5-bromothiophen-2-yl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
| Molecular Formula | C21H20BrN3O2S |
|---|---|
| Molecular Weight | 457.05 g/mol |
| LogP | 4.82062 |
| Topological Polar Surface Area | 71.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 457.04596 |
| Heavy Atoms | 28 |
| Complexity | 1037.7766 |
Chemical Identifiers
| CAS Number | 444931-58-2 |
|---|---|
| SMILES | CC1=CC(=NC=C1)NC(=O)C2=C(NC3=C(C2C4=CC=C(S4)Br)C(=O)CCC3)C |
Product Overview
4-(5-bromothiophen-2-yl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CAS 444931-58-2), with molecular formula C21H20BrN3O2S and molecular weight 457.05 g/mol. IUPAC: 4-(5-bromothiophen-2-yl)-2-methyl-N-(4-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
Chemical Property Profile of 4-(5-bromothiophen-2-yl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Property Insights of 4-(5-bromothiophen-2-yl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
The XLogP value of 4.82062 indicates that 4-(5-bromothiophen-2-yl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-bromothiophen-2-yl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide. Following Lipinski's Rule of Five, 4-(5-bromothiophen-2-yl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has 2 hydrogen bond donor(s) and 5 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 4-(5-bromothiophen-2-yl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The CAS number of 4-(5-bromothiophen-2-yl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is 444931-58-2.
What is the molecular formula of 4-(5-bromothiophen-2-yl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The molecular formula of 4-(5-bromothiophen-2-yl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is C21H20BrN3O2S.
What is the molecular weight of 4-(5-bromothiophen-2-yl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The molecular weight of 4-(5-bromothiophen-2-yl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is 457.05 g/mol.
Where can I buy 4-(5-bromothiophen-2-yl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
You can request a quote for 4-(5-bromothiophen-2-yl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-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 4-(5-bromothiophen-2-yl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-bromothiophen-2-yl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.