Basic information
- Standard SMILES
CCN1CCN(Cc2ccc(NC(=O)c3ccc(-c4c(F)c(OC)cc(OC)c4F)c4nccnc34)nc2)CC1- InChIKey
VPUSJEVBEOMKDF-UHFFFAOYSA-N- Molecular formula
- C29H30F2N6O3
- Average molar mass
- 548.6 g/mol
Names & identifiers
- Preferred name
- 8-(2,6-Difluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid [5-(4-ethyl-piperazin-1-ylmethyl)-pyridin-2-yl]-amide
- IUPAC
- 8-(2,6-difluoro-3,5-dimethoxyphenyl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide
Names & synonyms
SCHEMBL1126406VPUSJEVBEOMKDF-UHFFFAOYSA-N8-(2,6-Difluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid [5-(4-ethyl-piperazin-1-ylmethyl)-pyridin-2-yl]-amide8-(2,6-Difluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid [5-(4-ethylpiperazin-1-ylmethyl)-pyridin-2-yl]-amide
Database identifiers
- PubChem CID
- 44517259
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 805
Related reactions
5 records
Compound notes
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