Application:
BRD 4354 could be useful for the treating proliferative diseases and diseases associated with EGFR.
| Canonical Smiles | CCN1CCN(CC1)C(C2=CN=CC=C2)C3=CC(=C4C=CC=NC4=C3O)Cl |
|---|---|
| IUPAC Name | 5-chloro-7-[(4-ethylpiperazin-1-yl)-pyridin-3-ylmethyl]quinolin-8-ol |
| InChIKey | XAFSFXYJOJWLJD-UHFFFAOYSA-N |
| INCHI | 1S/C21H23ClN4O/c1-2-25-9-11-26(12-10-25)20(15-5-3-7-23-14-15)17-13-18(22)16-6-4-8-24-19(16)21(17)27/h3-8,13-14,20,27H,2,9-12H2,1H3 |
| Isomeric SMILES | CCN1CCN(CC1)C(C2=CN=CC=C2)C3=CC(=C4C=CC=NC4=C3O)Cl |
| Molecular Weight | 382.89 |
| Reaxy-Rn | 21610912 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21610912&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Haloquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chloroquinolines |
| Alternative Parents | 8-hydroxyquinolines N-alkylpiperazines Aralkylamines Pyridines and derivatives Benzenoids Aryl chlorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Chloroquinoline - 8-hydroxyquinoline - Aralkylamine - N-alkylpiperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2219119 | Certificate of Analysis | Sep 04, 2025 | B288731 |
| K2219120 | Certificate of Analysis | Sep 04, 2025 | B288731 |
| K2219121 | Certificate of Analysis | Sep 04, 2025 | B288731 |
| K2219123 | Certificate of Analysis | Sep 04, 2025 | B288731 |
| K2219124 | Certificate of Analysis | Sep 04, 2025 | B288731 |
| L2417072 | Certificate of Analysis | Sep 07, 2022 | B288731 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 7.66, Max Conc. mM: 20; Solvent:ethanol, Max Conc. mg/mL: 19.14, Max Conc. mM: 50 |
|---|---|
| Melt Point(°C) | 156-159°C |
| Molecular Weight | 382.900 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 382.156 Da |
| Monoisotopic Mass | 382.156 Da |
| Topological Polar Surface Area | 52.500 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 473.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
