2-(4-ethoxyphenyl)-N-[2-[4-[2-(4-ethoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
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Basic information
- CAS
548446-79-3- Standard SMILES
CCOc1ccc(-c2cc(C(=O)NCCN3CCN(C(=O)c4cc(-c5ccc(OCC)cc5)nc5ccccc45)CC3)c3ccccc3n2)cc1- InChIKey
POKWAZYMDPFHBK-UHFFFAOYSA-N- Molecular formula
- C42H41N5O4
- Average molar mass
- 679.8 g/mol
- Monoisotopic mass
- 679.31585481
Names & identifiers
- Preferred name
- 2-(4-ethoxyphenyl)-N-[2-[4-[2-(4-ethoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
- IUPAC
- 2-(4-ethoxyphenyl)-N-[2-[4-[2-(4-ethoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
- English name
- 2-(4-ethoxyphenyl)-N-[2-(4-{[2-(4-ethoxyphenyl)-4-quinolinyl]carbonyl}-1-piperazinyl)ethyl]-4-quinolinecarboxamide
- Molecular formula
- C42H41N5O4
- Molecular weight
- 679.80604
Names & synonyms
2-(4-ethoxyphenyl)-N-[2-(4-{[2-(4-ethoxyphenyl)-4-quinolinyl]carbonyl}-1-piperazinyl)ethyl]-4-quinolinecarboxamideAK-968/14004309STK433392AKOS0032993992-(4-ethoxyphenyl)-N-[2-[4-[2-(4-ethoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamideST50926365[2-(4-ethoxyphenyl)(4-quinolyl)]-N-[2-(4-{[2-(4-ethoxyphenyl)(4-quinolyl)]carb onyl}piperazinyl)ethyl]carboxamide2-(4-ethoxyphenyl)-N-[2-(4-{[2-(4-ethoxyphenyl)quinolin-4-yl]carbonyl}piperazin-1-yl)ethyl]quinoline-4-carboxamide
Database identifiers
- CAS
548446-79-3- PubChem CID
- 5173527
Properties
Computed structural propertiesFilling in
- XLogP
- 6.7
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
0 records
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Compound notes
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