6,7-dichloro-2,3-dimethoxy-5-{[2-(N-(1,1-dimethylpropyl)amino)ethyl]pyrazol-1-ylmethyl}quinoxaline
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Basic information
- Standard SMILES
CCC(C)(C)NCCC(c1c(Cl)c(Cl)cc2nc(OC)c(OC)nc12)n1cccn1- InChIKey
YHDDDQZKWUSKAS-UHFFFAOYSA-N- Molecular formula
- C21H27Cl2N5O2
- Average molar mass
- 452.4 g/mol
Names & identifiers
- Preferred name
- 6,7-dichloro-2,3-dimethoxy-5-{[2-(N-(1,1-dimethylpropyl)amino)ethyl]pyrazol-1-ylmethyl}quinoxaline
- IUPAC
- N-[3-(6,7-dichloro-2,3-dimethoxyquinoxalin-5-yl)-3-pyrazol-1-ylpropyl]-2-methylbutan-2-amine
Names & synonyms
SCHEMBL7810673YHDDDQZKWUSKAS-UHFFFAOYSA-N6,7-dichloro-2,3-dimethoxy-5-{[2-(N-(1,1-dimethylpropyl)amino)ethyl]pyrazol-1-ylmethyl}quinoxaline
Database identifiers
- PubChem CID
- 23224988
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 544
Related reactions
2 records
Compound notes
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