2,5-Dimethoxy-N,N-dimethyl-4-[(Z)-2-(quinolin-4-yl)ethenyl]aniline
Basic information
- CAS
978-16-5- Standard SMILES
COc1cc(N(C)C)c(OC)cc1/C=C\c1ccnc2ccccc12- InChIKey
WNRMQAWGIWTTME-KTKRTIGZSA-N- Molecular formula
- C21H22N2O2
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.16812795
Names & identifiers
- Preferred name
- 2,5-Dimethoxy-N,N-dimethyl-4-[(Z)-2-(quinolin-4-yl)ethenyl]aniline
- IUPAC
- 2,5-dimethoxy-N,N-dimethyl-4-[(Z)-2-quinolin-4-ylethenyl]aniline
Names & synonyms
978-16-5CHEMBL1970447DTXSID207127342,5-Dimethoxy-N,N-dimethyl-4-[(Z)-2-(quinolin-4-yl)ethenyl]anilineNSC268804NSC-2688042,5-Dimethoxy-N,N-dimethyl-4-[(Z)-2-(quinolin-4-yl)ethen-1-yl]aniline
Database identifiers
- CAS
978-16-5- PubChem CID
- 54599355
- DTXSID
DTXSID20712734- ChEMBL
CHEMBL1970447
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 34.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 440
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Compound notes
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