Compound Summary
Trequinsin hydrochloride
Compound Information
Trequinsin hydrochloride
Compound Name: | Trequinsin hydrochloride |
Compound CID: | 3060974 |
Synonyms: | Trequinsin hydrochloride |
Iupac Name: | 9,10-dimethoxy-3-methyl-2-(2,4,6-trimethylphenyl)imino-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one;hydrochloride |
InChI: | InChI=1S/C24H27N3O3.ClH/c1-14-9-15(2)23(16(3)10-14)25-22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)26(22)4;/h9-13H,7-8H2,1-6H3;1H |
InChIKey: | DTCZZBVPTHVXFA-UHFFFAOYSA-N |
Canonical Smiles: | CC1=CC(=C(C(=C1)C)N=C2C=C3C4=CC(=C(C=C4CCN3C(=O)N2C)OC)OC)C.Cl |
Isomeric Smiles: | CC1=CC(=C(C(=C1)C)N=C2C=C3C4=CC(=C(C=C4CCN3C(=O)N2C)OC)OC)C.Cl |
Molecular Weight: | 441.9 |
Molecular Formula: | C24H28ClN3O3 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Trequinsin hydrochloride
Molecular Weight: | 441.9 |
Molecular Formula: | C24H28ClN3O3 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 31 |
Complexity: | 709 |
Synonyms
Trequinsin hydrochloride
Experimental Data
Trequinsin hydrochloride
Experimental Data Visualization
Trequinsin hydrochloride
Statistics Data
Trequinsin hydrochloride
Statistics Data Visualization
Trequinsin hydrochloride
