4-[(4-Benzyl-1-piperidinyl)carbonyl]-2-(3-bromophenyl)quinoline
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Basic information
- CAS
438453-78-2- Standard SMILES
O=C(c1cc(-c2cccc(Br)c2)nc2ccccc12)N1CCC(Cc2ccccc2)CC1- InChIKey
AISLHRJZXNOEFG-UHFFFAOYSA-N- Molecular formula
- C28H25BrN2O
- Average molar mass
- 485.4 g/mol
- Monoisotopic mass
- 484.11503
Names & identifiers
- Preferred name
- 4-[(4-Benzyl-1-piperidinyl)carbonyl]-2-(3-bromophenyl)quinoline
- IUPAC
- (4-benzylpiperidin-1-yl)-[2-(3-bromophenyl)quinolin-4-yl]methanone
- English name
- 4-[(4-benzyl-1-piperidinyl)carbonyl]-2-(3-bromophenyl)quinoline
- Molecular formula
- C28H25BrN2O
- Molecular weight
- 485.41
Names & synonyms
4-[(4-benzyl-1-piperidinyl)carbonyl]-2-(3-bromophenyl)quinoline(4-benzylpiperidin-1-yl)[2-(3-bromophenyl)quinolin-4-yl]methanoneOprea1_462165CHEMBL4785483(4-benzylpiperidin-1-yl)-[2-(3-bromophenyl)quinolin-4-yl]methanoneSTK334304AKOS003277065ST45153076AK-968/128622632-(3-bromophenyl)(4-quinolyl) 4-benzylpiperidyl ketoneMethanone, [2-(3-bromophenyl)-4-quinolinyl][4-(phenylmethyl)-1-piperidinyl]-
Database identifiers
- CAS
438453-78-2- PubChem CID
- 3403122
- ChEMBL
CHEMBL4785483
Properties
Computed structural propertiesFilling in
- XLogP
- 6.7
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 613
Physicochemical properties
- Boiling point
- 644.7 · 644.7±50.0 °C(Predicted)
- Density
- 1.342 · 1.342±0.06 g/cm3(Predicted)
- pka
- 3.65 · 3.65±0.33(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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