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3,4-Dihydro-7-(4-(4-(1-naphthyl)piperazino)butoxy)-1,8-naphthyridine-2(1H)-one , Dopamine D2 receptor partial agonist, CAS No.846032-02-8, Dopamine D2 receptor partial agonist
Basic Description
Synonyms
PF-00217830 | 7-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one | UNII-8BC08N1MS5 | Q27270138 | BDBM50343277 | 1,8-Naphthyridin-2(1H)-one, 3,4-dihydro-7-(4-(4-(1-naphthalenyl)-1-piperazinyl)butoxy)- | PF-217830 | SCHEMBL2
Action Type
PARTIAL AGONIST
Mechanism of action
Dopamine D2 receptor partial agonist
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Not available
Direct Parent
N-arylpiperazines
Alternative Parents
Naphthyridines Naphthalenes Dialkylarylamines Alkyl aryl ethers N-alkylpiperazines Pyridines and derivatives Imidolactams Heteroaromatic compounds Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-arylpiperazine - Naphthalene - Naphthyridine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Alkyl aryl ether - N-alkylpiperazine - Pyridine - Imidolactam - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Ether - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl 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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
7-[4-(4-naphthalen-1-ylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
INCHI
InChI=1S/C26H30N4O2/c31-24-12-10-21-11-13-25(28-26(21)27-24)32-19-4-3-14-29-15-17-30(18-16-29)23-9-5-7-20-6-1-2-8-22(20)23/h1-2,5-9,11,13H,3-4,10,12,14-19H2,(H,27,28,31)
InChIKey
QGNOXTFZOLDODX-UHFFFAOYSA-N
Smiles
C1CC(=O)NC2=C1C=CC(=N2)OCCCCN3CCN(CC3)C4=CC=CC5=CC=CC=C54
Isomeric SMILES
C1CC(=O)NC2=C1C=CC(=N2)OCCCCN3CCN(CC3)C4=CC=CC5=CC=CC=C54
Molecular Weight
430.5
Reaxy-Rn
18308183
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18308183&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
430.500 g/mol
XLogP3
4.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
7
Exact Mass
430.237 Da
Monoisotopic Mass
430.237 Da
Topological Polar Surface Area
57.700 Ų
Heavy Atom Count
32
Formal Charge
0
Complexity
609.000
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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