Basic information
- Standard SMILES
COc1ccc(CN2CCN(Cc3ccc(NC(=O)c4ccc(-c5cc(OC)cc(OC)c5)c5nccnc45)nc3)CC2)cc1- InChIKey
BMCPRFMOINHDPD-UHFFFAOYSA-N- Molecular formula
- C35H36N6O4
- Average molar mass
- 604.7 g/mol
- Monoisotopic mass
- 604.27980365
Names & identifiers
- Preferred name
- 8-(3,5-Dimethoxy-phenyl)-quinoxaline-5-carboxylic acid {5-[4-(4-methoxybenzyl)-piperazin-1-ylmethyl]-pyridin-2-yl}-amide
- IUPAC
- 8-(3,5-dimethoxyphenyl)-N-[5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-pyridinyl]quinoxaline-5-carboxamide
Names & synonyms
SCHEMBL1126231BMCPRFMOINHDPD-UHFFFAOYSA-N8-(3,5-Dimethoxy-phenyl)-quinoxaline-5-carboxylic acid {5-[4-(4-methoxybenzyl)-piperazin-1-ylmethyl]-pyridin-2-yl}-amide
Database identifiers
- PubChem CID
- 44513199
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 901
Related reactions
1 records
Compound notes
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