{6-Bromo-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]quinolin-3-yl}(cyclopropyl)methanone
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Basic information
- Standard SMILES
O=C(c1cnc2ccc(Br)cc2c1N1CCC(CN2CCCC2)CC1)C1CC1- InChIKey
LYERWNWLCXUXLV-UHFFFAOYSA-N- Molecular formula
- C23H28BrN3O
- Average molar mass
- 442.4 g/mol
Names & identifiers
- Preferred name
- {6-Bromo-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]quinolin-3-yl}(cyclopropyl)methanone
- IUPAC
- [6-bromo-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]quinolin-3-yl]-cyclopropylmethanone
Names & synonyms
SCHEMBL529174LYERWNWLCXUXLV-UHFFFAOYSA-N{6-Bromo-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]quinolin-3-yl}(cyclopropyl)methanone
Database identifiers
- PubChem CID
- 66715460
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 554
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Related reactions
5 records
Compound notes
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