2-Quinolineacetic acid, alpha-cyano-4-(1-piperidinylcarbonyl)-, ethyl ester
Basic information
- CAS
194713-20-7- Standard SMILES
CCOC(=O)C(C#N)c1cc(C(=O)N2CCCCC2)c2ccccc2n1- InChIKey
HPHZSQDAPRADKK-UHFFFAOYSA-N- Molecular formula
- C20H21N3O3
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.15829154
Names & identifiers
- Preferred name
- 2-Quinolineacetic acid, alpha-cyano-4-(1-piperidinylcarbonyl)-, ethyl ester
- IUPAC
- ethyl 2-cyano-2-[4-(piperidine-1-carbonyl)quinolin-2-yl]acetate
- English name
- Ethyl alpha-cyano-4-(1-piperidinylcarbonyl)-2-quinolineacetate
- Molecular weight
- 0
Names & synonyms
Ethyl alpha-cyano-4-(1-piperidinylcarbonyl)-2-quinolineacetate194713-20-72-Quinolineacetic acid, alpha-cyano-4-(1-piperidinylcarbonyl)-, ethyl esterRefChem:266973ethyl 2-cyano-2-[4-(piperidine-1-carbonyl)quinolin-2-yl]acetateDTXSID40941221Ethyl cyano[4-(piperidine-1-carbonyl)quinolin-2-yl]acetate
Database identifiers
- CAS
194713-20-7- PubChem CID
- 3075656
- DTXSID
DTXSID40941221
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 83.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 564
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Related reactions
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Compound notes
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