Cinchoninamide, N-(2-(diethylamino)ethyl)-2-ethoxy-N-(2,6-xylyl)-, hydrochloride

HCID 53845

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Basic information

CAS: 77945-03-0
Standard SMILES: CCOc1cc(C(=O)N(CC[NH+](CC)CC)c2c(C)cccc2C)c2ccccc2n1.[Cl-]
InChIKey: YFHKYVQDEGGMID-UHFFFAOYSA-N
Molecular formula: C26H34ClN3O2
Average molar mass: 456 g/mol
Monoisotopic mass: 455.233955

Names & identifiers

Preferred name: Cinchoninamide, N-(2-(diethylamino)ethyl)-2-ethoxy-N-(2,6-xylyl)-, hydrochloride
IUPAC: 2-(N-(2-ethoxyquinoline-4-carbonyl)-2,6-dimethylanilino)ethyl-diethylazanium chloride

Names & synonyms

C 3222N-(2-(Diethylamino)ethyl)-2-ethoxy-N-(2,6-xylyl)cinchoninamide hydrochloride4-Quinolinecarboxamide, N-(2-(diethylamino)ethyl)-N-(2,6-dimethylphenyl)-2-epoxy-, HClCINCHONINAMIDE, N-(2-(DIETHYLAMINO)ETHYL)-2-ETHOXY-N-(2,6-XYLYL)-, HYDROCHLORIDEN-(2-(Diethylamino)ethyl)-2-ethoxy-N-(2,6-xylyl)-4-quinolinecarboxamide, hydrochloride77945-03-0RefChem:334144

Database identifiers

CAS: 77945-03-0
PubChem CID: 53845

Properties

Computed structural properties

Topological polar surface area: 46.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 9
Heavy atoms: 32
Formal charge: 0
Complexity: 543

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