3-phenyl-6-(trifluoromethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]quinoxalin-2-amine

HCID 369883

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Basic information

Standard SMILES: COc1cc(CNc2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc(OC)c1OC
InChIKey: NHAJKNRIXZORCC-UHFFFAOYSA-N
Molecular formula: C25H22F3N3O3
Average molar mass: 469.5 g/mol
Monoisotopic mass: 469.16132606

Names & identifiers

Preferred name: 3-phenyl-6-(trifluoromethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]quinoxalin-2-amine
IUPAC: 3-phenyl-6-(trifluoromethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]quinoxalin-2-amine

Names & synonyms

NSC6420773-phenyl-6-(trifluoromethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]quinoxalin-2-amineCHEMBL19716403-Phenyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxybenzyl)-2-quinoxalinamineNSC-642077NCI60_014278N-(3-Phenyl-6-(trifluoromethyl)-2-quinoxalinyl)-N-(3,4,5-trimethoxybenzyl)amine

Database identifiers

PubChem CID: 369883
ChEMBL: CHEMBL1971640
Nikkaji: J779.650A

Properties

Computed structural properties

XLogP: 5.5
Topological polar surface area: 65.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 7
Heavy atoms: 34
Formal charge: 0
Complexity: 620

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