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4-Quinazolinol, 5,6,7,8-tetrahydro-2-(4-methyl-1-piperazinyl)- , CAS No.33017-94-6

COA

Cas Number: 33017-94-6
Molecular Weight: 248.32
PubChem CID: 135417158

In stock

Item Number

Q669295

Grouped product items
SKU	Size	Availability	Price	Qty
Q669295-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
Q669295-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

Basic Description

Synonyms	2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one \| 4-Quinazolinol, 5,6,7,8-tetrahydro-2-(4-methyl-1-piperazinyl)- \| 2-(4-Methylpiperazin-1-Yl)-3,4,5,6,7,8-Hexahydroquinazolin-4-One \| 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	N-arylpiperazines
Alternative Parents	Quinazolines Dialkylarylamines Pyrimidones N-methylpiperazines Aminopyrimidines and derivatives Vinylogous amides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	N-arylpiperazine - Diazanaphthalene - Quinazoline - Dialkylarylamine - Aminopyrimidine - Pyrimidone - N-methylpiperazine - N-alkylpiperazine - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - 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
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. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TNKS2 Tchem Tankyrase-2 (2 Activities)

Discover Target: TNKS2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

IUPAC Name	2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
INCHI	InChI=1S/C13H20N4O/c1-16-6-8-17(9-7-16)13-14-11-5-3-2-4-10(11)12(18)15-13/h2-9H2,1H3,(H,14,15,18)
InChIKey	SQCWABLHLAOJBR-UHFFFAOYSA-N
Smiles	CN1CCN(CC1)C2=NC3=C(CCCC3)C(=O)N2
Isomeric SMILES	CN1CCN(CC1)C2=NC3=C(CCCC3)C(=O)N2
Molecular Weight	248.32
Reaxy-Rn	10457951
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10457951&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	248.320 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	248.164 Da
Monoisotopic Mass	248.164 Da
Topological Polar Surface Area	47.900 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	419.000
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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