N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-7-(trifluoromethyl)quinoxalin-2-amine

HCID 369882

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Basic information

Standard SMILES: COc1ccc(CNc2nc3cc(C(F)(F)F)ccc3nc2C)cc1OC
InChIKey: XMNMLMWPPKZDKW-UHFFFAOYSA-N
Molecular formula: C19H18F3N3O2
Average molar mass: 377.4 g/mol
Monoisotopic mass: 377.13511131

Names & identifiers

Preferred name: N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-7-(trifluoromethyl)quinoxalin-2-amine
IUPAC: N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-7-(trifluoromethyl)quinoxalin-2-amine

Names & synonyms

NSC642076N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-7-(trifluoromethyl)quinoxalin-2-amineCHEMBL1982161N-(3,4-Dimethoxybenzyl)-3-methyl-7-(trifluoromethyl)-2-quinoxalinamineNSC-642076NCI60_014277N-(3,4-Dimethoxybenzyl)-N-(3-methyl-7-(trifluoromethyl)-2-quinoxalinyl)amine

Database identifiers

PubChem CID: 369882
ChEMBL: CHEMBL1982161
Nikkaji: J779.644G

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 56.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 480

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