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Basic information
- Standard SMILES
CCOC(=O)/C=C/c1cc(OC)cc2c1ccc(=O)n2CCN1CCC(NCc2ccc3c(c2)OCCO3)CC1- InChIKey
LOYOYSQCGNDDLE-WEVVVXLNSA-N- Molecular formula
- C31H37N3O6
- Average molar mass
- 547.6 g/mol
- Monoisotopic mass
- 547.26823591
Names & identifiers
- Preferred name
- ethyl (2E)-3-(1-(2-(4-((2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino)piperidin-1-yl)ethyl)-7-methoxy-2-oxo-1,2-dihydroquinolin-5-yl)acrylate
- IUPAC
- ethyl (E)-3-[1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-2-oxoquinolin-5-yl]prop-2-enoate
Names & synonyms
SCHEMBL13264351LOYOYSQCGNDDLE-WEVVVXLNSA-Nethyl (2E)-3-(1-(2-(4-((2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino)piperidin-1-yl)ethyl)-7-methoxy-2-oxo-1,2-dihydroquinolin-5-yl)acrylateethyl (2E)-3-(l-(2-(4-((2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino)piperidin-1-yl)ethyl)-7-methoxy-2-oxo-1,2-dihydroquinolin-5-yl)acrylate
Database identifiers
- PubChem CID
- 86643185
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 904
Related reactions
4 records
Compound notes
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