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5,6,7,8-TETRAHYDRO-QUINAZOLINE-2,4-DIOL , CAS No.35042-48-9
Discover 5,6,7,8-TETRAHYDRO-QUINAZOLINE-2,4-DIOL by Aladdin Scientific in for only $410.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
35042-48-9 | 5,6,7,8-Tetrahydroquinazoline-2,4(1H,3H)-dione | 5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione | 5,6,7,8-tetrahydro-2,4(1H,3H)-quinazolinedione | 5,6,7,8-tetrahydroquinazoline-2,4-diol | 1,2,3,4,5,6,7,8-octahydroquinazoline-2,4-dione | 5,6,7,8-tetrahydro-q
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Not available
Direct Parent
Quinazolines
Alternative Parents
Pyrimidones Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazoline - Pyrimidone - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Lactam - Urea - Azacycle - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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.
Names and Identifiers
IUPAC Name
5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione
INCHI
InChI=1S/C8H10N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H2,(H2,9,10,11,12)
InChIKey
DRLMXVMLMGPVRC-UHFFFAOYSA-N
Smiles
C1CCC2=C(C1)C(=O)NC(=O)N2
Isomeric SMILES
C1CCC2=C(C1)C(=O)NC(=O)N2
PubChem CID
471872
Molecular Weight
166.181
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
166.180 g/mol
XLogP3
0.200
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
166.074 Da
Monoisotopic Mass
166.074 Da
Topological Polar Surface Area
58.200 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
281.000
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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