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7-Methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4(3H)-one - 98%, high purity , CAS No.199327-61-2

COA

Grade & Purity:

≥98%

Cas Number: 199327-61-2
Molecular Weight: 319.36
PubChem CID: 135399673
PubChem SID: 488202829

In stock

Item Number

M189067

Grouped product items
SKU	Size	Availability	Price
M189067-1g	1g	3	$9.90
M189067-5g	5g	3	$15.90
M189067-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$28.90
M189067-25g	25g	9	$44.90
M189067-100g	100g	2	$154.90
M189067-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$539.90

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Metabolite (5307)

Basic Description

Synonyms	AC-22622 \| CS-0131955 \| Gefitinib Impurity 12 \| MFCD12760130 \| Q-101334 \| 7-Methoxy-6-(3-(4-morpholinyl)propoxy)-4(3H)-quinazolinone \| UNII-R9YH59H93M \| 4(3H)-Quinazolinone, 7-methoxy-6-[3-(4-morpholinyl)propoxy]- \| rac-glyceryl octanoate \| A18404 \| DTXSI
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazanaphthalenes
    - Subclass Benzodiazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazanaphthalenes
Subclass	Benzodiazines
Intermediate Tree Nodes	Not available
Direct Parent	Quinazolines
Alternative Parents	Anisoles Pyrimidones Alkyl aryl ethers Morpholines Vinylogous amides Heteroaromatic compounds Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinazoline - Anisole - Phenol ether - Alkyl aryl ether - Pyrimidone - Morpholine - Oxazinane - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Tertiary aliphatic amine - Tertiary amine - Ether - Dialkyl ether - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
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

Names and Identifiers

Pubchem Sid	488202829
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488202829
IUPAC Name	7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one
INCHI	InChI=1S/C16H21N3O4/c1-21-14-10-13-12(16(20)18-11-17-13)9-15(14)23-6-2-3-19-4-7-22-8-5-19/h9-11H,2-8H2,1H3,(H,17,18,20)
InChIKey	WFUBWLXSYCFZEH-UHFFFAOYSA-N
Smiles	COC1=C(C=C2C(=C1)N=CNC2=O)OCCCN3CCOCC3
Isomeric SMILES	COC1=C(C=C2C(=C1)N=CNC2=O)OCCCN3CCOCC3
Molecular Weight	319.36
Reaxy-Rn	10102670
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10102670&ln=

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

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3 results found

Lot Number	Certificate Type	Date	Item
L2311321	Certificate of Analysis	Dec 15, 2023	M189067
C2013120	Certificate of Analysis	Jan 05, 2023	M189067
L2220033	Certificate of Analysis	Jan 05, 2023	M189067

Chemical and Physical Properties

Molecular Weight	319.360 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	319.153 Da
Monoisotopic Mass	319.153 Da
Topological Polar Surface Area	72.400 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	426.000
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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