Basic information
- CAS
53-99-6- Standard SMILES
Nc1cccc(/C=C/c2ccnc3ccccc23)c1- InChIKey
CIECFIWLNYAGNX-CMDGGOBGSA-N- Molecular formula
- C17H14N2
- Average molar mass
- 246.31 g/mol
- Monoisotopic mass
- 246.11569846
Names & identifiers
- Preferred name
- 3-[(E)-2-(Quinolin-4-yl)ethen-1-yl]aniline
- IUPAC
- 3-[(E)-2-quinolin-4-ylethenyl]aniline
Names & synonyms
NSC26884753-99-6SCHEMBL6796336CHEMBL1887572DTXSID30422216NSC-268847NCGC00188220-013-[(E)-2-(Quinolin-4-yl)ethen-1-yl]aniline
Database identifiers
- CAS
53-99-6- PubChem CID
- 6242536
- DTXSID
DTXSID30422216- ChEMBL
CHEMBL1887572
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 312
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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