2-[(3-Cyano-5,7-dimethyl-2-quinolinyl)amino]ethyl 3-methoxybenzoate
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Basic information
- CAS
606101-81-9- Standard SMILES
COc1cccc(C(=O)OCCNc2nc3cc(C)cc(C)c3cc2C#N)c1- InChIKey
RKOKMCUARWAHAF-UHFFFAOYSA-N- Molecular formula
- C22H21N3O3
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.15829154
Names & identifiers
- Preferred name
- 2-[(3-Cyano-5,7-dimethyl-2-quinolinyl)amino]ethyl 3-methoxybenzoate
- IUPAC
- 2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl 3-methoxybenzoate
- English name
- Benzoic acid, 3-methoxy-, 2-[(3-cyano-5,7-dimethyl-2-quinolinyl)amino]ethyl ester (9CI)
- Molecular formula
- C22H21N3O3
- Molecular weight
- 375.42
Names & synonyms
606101-81-92-[(3-Cyano-5,7-dimethyl-2-quinolinyl)amino]ethyl 3-methoxybenzoateDTXSID2011615182-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl 3-methoxybenzoateAKOS000688384Benzoic acid, 3-methoxy-, 2-[(3-cyano-5,7-dimethyl-2-quinolinyl)amino]ethyl esterBenzoic acid, 3-methoxy-, 2-[(3-cyano-5,7-dimethyl-2-quinolinyl)amino]ethyl ester (9CI)
Database identifiers
- CAS
606101-81-9- PubChem CID
- 3224088
- DTXSID
DTXSID201161518
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 575
Related reactions
0 records
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Compound notes
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