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Basic information
- Standard SMILES
CC(=O)N1c2ccc(Br)cc2CCC1C(=O)N1CC(N2CCNCC2)C1- InChIKey
CBMUYZLIFKWBFF-UHFFFAOYSA-N- Molecular formula
- C19H25BrN4O2
- Average molar mass
- 421.3 g/mol
- Monoisotopic mass
- 420.11609
Names & identifiers
- Preferred name
- 1-Acetyl-6-bromo-2-({3-[piperazin-yl]azetidin-1-yl}carbonyl)-1,2,3,4-tetrahydroquinoline
- IUPAC
- 1-[6-bromo-2-(3-piperazin-1-ylazetidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
Names & synonyms
SCHEMBL697100CBMUYZLIFKWBFF-UHFFFAOYSA-N1-Acetyl-6-bromo-2-({3-[piperazin-yl]azetidin-1-yl}carbonyl)-1,2,3,4-tetrahydroquinoline1-Acetyl-6-bromo-2-({3-[piperazin-1-yl]azetidin-1-yl}carbonyl)-1,2,3,4-tetrahydroquinoline
Database identifiers
- PubChem CID
- 59625932
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 55.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 548
Related reactions
15 records
Compound notes
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