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6,7-Dimethoxyquinazoline-2,4-dione - USP, high purity , CAS No.28888-44-0
Basic Description
Synonyms
1,2-BIS(DIPHENYLPHOSPHINO)ETHANEMONOOXIDE | 6,7-Dimethoxyquinazoline-2,4-dione | CAS-28888-44-0 | BS-4302 | Q27282043 | SCHEMBL2330774 | DTXSID9046100 | EINECS 249-288-1 | Sodium 4-(2,4-dinitroanilino)diphenylamine-2-sulfonate | Z104479230 | AKOS000120307
Specifications & Purity
PharmPure™, USP
Shipped In
Normal
Grade
PharmPure™, USP
Taxonomic Classification
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 Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazoline - Anisole - Alkyl aryl ether - Pyrimidone - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen 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
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)
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
6,7-dimethoxy-1H-quinazoline-2,4-dione
INCHI
InChI=1S/C10H10N2O4/c1-15-7-3-5-6(4-8(7)16-2)11-10(14)12-9(5)13/h3-4H,1-2H3,(H2,11,12,13,14)
InChIKey
KWNQIIMVPSMYEM-UHFFFAOYSA-N
Smiles
COC1=C(C=C2C(=C1)C(=O)NC(=O)N2)OC
Isomeric SMILES
COC1=C(C=C2C(=C1)C(=O)NC(=O)N2)OC
Molecular Weight
222.2
Reaxy-Rn
204597
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=204597&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
222.200 g/mol
XLogP3
0.700
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
222.064 Da
Monoisotopic Mass
222.064 Da
Topological Polar Surface Area
76.700 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
307.000
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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