Basic information
- Standard SMILES
COc1cc[nH]c1/C=C1\C(=O)Nc2cccc(C#CC(O)c3ccc(OCCCN(C)C)cc3)c21- InChIKey
WXWYYUPZZCUBKY-PYCFMQQDSA-N- Molecular formula
- C28H29N3O4
- Average molar mass
- 471.5 g/mol
- Monoisotopic mass
- 471.21580641
Names & identifiers
- Preferred name
- (Z)-4-(3-(4-(3-(dimethylamino)propoxy)phenyl)-3-hydroxyprop-1-ynyl)-3-((3-methoxy-1H-pyrrol-2-yl)methylene)indolin-2-one
- IUPAC
- (3Z)-4-[3-[4-[3-(dimethylamino)propoxy]phenyl]-3-hydroxyprop-1-ynyl]-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
Names & synonyms
CHEMBL241262SCHEMBL6971308WXWYYUPZZCUBKY-PYCFMQQDSA-NBDBM50196992(Z)-4-(3-(4-(3-(dimethylamino)propoxy)phenyl)-3-hydroxyprop-1-ynyl)-3-((3-methoxy-1H-pyrrol-2-yl)methylene)indolin-2-onerac-(Z)-1,3-dihydro-4-[3-[4-(3-dimethylaminopropoxy)-phenyl]-3-hydroxy-1-propynyl]-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]-2H-indol-2-one
Database identifiers
- PubChem CID
- 9890933
- ChEMBL
CHEMBL241262
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 808
Related reactions
1 records
Compound notes
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