Basic information
- CAS
124782-95-2- Standard SMILES
Brc1ccc2nc(N3CCNCC3)ccc2c1- InChIKey
MKIHFWMBAKJYJL-UHFFFAOYSA-N- Molecular formula
- C13H14BrN3
- Average molar mass
- 292.17 g/mol
- Monoisotopic mass
- 291.03710955
Overview
ligand for in vivo imaging of 5-hydroxytryptamine uptake in the brain; structure given in first source
Names & identifiers
- Preferred name
- 6-Bromoquipazine
- IUPAC
- 6-bromo-2-piperazin-1-ylquinoline
- English name
- 6-Bromo-2-piperazin-1-yl-quinoline
- Molecular formula
- C13H14BrN3
- Molecular weight
- 292.17
Names & synonyms
124782-95-26-BromoquipazineQuinoline, 6-bromo-2-(1-piperazinyl)-DTXSID90154485RefChem:913868DTXCID40769766-Bromo-2-piperazin-1-yl-quinoline6-bromo-2-(piperazin-1-yl)quinoline6-bromo-2-piperazin-1-ylquinolineMFCD04115273CHEMBL391646-BROMO-2-PIPERAZIN-1-YL-QUINOLINE;6-bromoquipazine
Show more names
6-bromo-2-(piperazin-1-yl)quinoline(WX135275)
6-bromo-2-(1-piperazinyl)quinolineL7JUF7RYM2SCHEMBL5912936MKIHFWMBAKJYJL-UHFFFAOYSA-NBDBM50090213AKOS0224018996-bromanyl-2-piperazin-1-yl-quinolineAB19846
Database identifiers
- CAS
124782-95-2- PubChem CID
- 130261
- DTXSID
DTXSID90154485- ChEMBL
CHEMBL39164- UNII
- L7JUF7RYM2
- Nikkaji
- J518.584J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 255
Chemistry & industry
Suppliers6 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
杰达维(上海)医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海智乾生物科技有限公司[email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
4 records
Compound notes
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