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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-[2-Amino-4-Methyl-3-(2-Methylquinolin-6-Yl)benzoyl]-1-Methyl-2,5-Diphenyl-1,2-Dihydro-3h-Pyrazol-3-One , CAS No.A669281
Synonyms
4-[2-Amino-4-Methyl-3-(2-Methylquinolin-6-Yl)benzoyl]-1-Methyl-2,5-Diphenyl-1,2-Dihydro-3h-Pyrazol-3-One | AMG-PERK-44 | BDBM50072036 | NCGC00480730-01 | Q27454272 | 3Z5
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
4-[2-Amino-4-Methyl-3-(2-Methylquinolin-6-Yl)benzoyl]-1-Methyl-2, 5-Diphenyl-1, 2-Dihydro-3h-Pyrazol-3-One | AMG-PERK-44 | BDBM50072036 | NCGC00480730-01 | Q27454272 | 3Z5
Product Properties Names and Identifiers Canonical Smiles CC1=C(C(=C(C=C1)C(=O)C2=C(N(N(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4)N)C5=CC6=C(C=C5)N=C(C=C6)C IUPAC Name 4-[2-amino-4-methyl-3-(2-methylquinolin-6-yl)benzoyl]-1-methyl-2,5-diphenylpyrazol-3-one InChIKey YPPSMYLMSKHYAY-UHFFFAOYSA-N INCHI 1S/C34H28N4O2/c1-21-14-18-27(31(35)29(21)25-17-19-28-24(20-25)16-15-22(2)36-28)33(39)30-32(23-10-6-4-7-11-23)37(3)38(34(30)40)26-12-8-5-9-13-26/h4-20H,35H2,1-3H3 Isomeric SMILES CC1=C(C(=C(C=C1)C(=O)C2=C(N(N(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4)N)C5=CC6=C(C=C5)N=C(C=C6)C PubChem CID 86583045 Molecular Weight 524.6
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Quinolines and derivatives Subclass Phenylquinolines Intermediate Tree Nodes Not available Direct Parent Phenylquinolines Alternative Parents Benzoylpyrazoles Aryl-phenylketones Phenylpyrazoles Aniline and substituted anilines Aminotoluenes Methylpyridines Pyrazolones Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Phenylquinoline - Benzoylpyrazole - Aryl-phenylketone - Phenylpyrazole - Benzoyl - Aminotoluene - Aniline or substituted anilines - Aryl ketone - Methylpyridine - Toluene - Monocyclic benzene moiety - Pyrazolinone - Pyridine - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Vinylogous amide - Lactam - Ketone - Azacycle - Primary amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 524.600 g/mol XLogP3 7.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 5 Exact Mass 524.221 Da Monoisotopic Mass 524.221 Da Topological Polar Surface Area 79.500 Ų Heavy Atom Count 40 Formal Charge 0 Complexity 967.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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