Basic information
- CAS
79855-88-2- Standard SMILES
COc1cc2c(cc1OC)-c1cc(=Nc3c(C)cc(C)cc3C)n(C)c(=O)n1CC2- InChIKey
MCMSJVMUSBZUCN-UHFFFAOYSA-N- Molecular formula
- C24H27N3O3
- Average molar mass
- 405.5 g/mol
- Monoisotopic mass
- 405.20524173
Overview
9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is a pyridopyrimidine.
Names & identifiers
- Preferred name
- Trequinsin
- IUPAC
- 9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
- English name
- Trequinsin
- Molecular formula
- C24H27N3O3
- Molecular weight
- 405.49
Names & synonyms
trequinsin79855-88-2TrequinsineTrequinsinumtrequinsina739I2958C1DTXSID20484582,3,6,7-tetrahydro-9,10-dimethoxy-3-methyl-2-((2,4,6-trimethylphenyl)imino)-4H-pyrimido(6,1-a)isoquinolin-4-one, monohydrochloride9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido(4,3-a)isoquinolin-4-one9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[4,3-a]isoquinolin-4-oneRefChem:190767DTXCID2028432
Show more names
2,3,6,7-Tetrahydro-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-4H-pyrimido[6,1-a]isoquinolin-4-one2-[(2,4,6-Trimethylphenyl)imino]-3-methyl-9,10-dimethoxy-2,3,6,7-tetrahydro-4H-pyrimido[6,1-a]isoquinoline-4-one4H-Pyrimido[6,1-a]isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-
HL-725Trequinsin [INN]9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-oneCHEMBL2859132,3,6,7-Tetrahydro-2-(mesitylimino)-9,10-dimethoxy-3-methyl-4H-pyrimido(6,1-a)isoquinolin-4-oneTrequinsine [INN-French]Trequinsinum [INN-Latin](2E)-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-2,3,6,7-tetrahydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 708
Physicochemical properties
- Melting point
- 151 · 151-152 °C
- Boiling point
- 593.2 · 593.2±60.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 8.99 · 8.99±0.20(Predicted)
- FDA UNII
- 739 I2958C1 · 739I2958C1
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Additional notes
DefinitionChEBI: 9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one is a pyridopyrimidine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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