Basic information
- Standard SMILES
CN(C)CCOc1ccc(/C=C/C(=O)N2CC(CCl)c3c2cc(OCc2ccccc2)c2ncccc32)cc1- InChIKey
YXQFQBMILDNSRY-NTCAYCPXSA-N- Molecular formula
- C32H32ClN3O3
- Average molar mass
- 542.1 g/mol
Names & identifiers
- Preferred name
- 2-(4-{(1E)-3-[5-(benzyloxy)-1-(chloromethyl)-1,2-dihydro-3H-pyrrolo[3,2-f]quinolin-3-yl]-3-oxo-1-propenyl}phenoxy)-N,N-dimethylethanamine
- IUPAC
- (E)-1-[1-(chloromethyl)-5-phenylmethoxy-1,2-dihydropyrrolo[3,2-f]quinolin-3-yl]-3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-en-1-one
Names & synonyms
SCHEMBL5865328YXQFQBMILDNSRY-NTCAYCPXSA-N2-(4-{(1E)-3-[5-(benzyloxy)-1-(chloromethyl)-1,2-dihydro-3H-pyrrolo[3,2-f]quinolin-3-yl]-3-oxo-1-propenyl}phenoxy)-N,N-dimethylethanamine
Database identifiers
- PubChem CID
- 22053372
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 796
Related reactions
1 records
Compound notes
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