Basic information
- Standard SMILES
CCOC(=O)CCCCN(CCc1ccccc1O)C1CCCc2nc(C(=O)OCC)ccc21- InChIKey
CDBQLTTUVXGTGD-UHFFFAOYSA-N- Molecular formula
- C27H36N2O5
- Average molar mass
- 468.6 g/mol
Names & identifiers
- Preferred name
- Ethyl 5-[(5-ethoxy-5-oxopentyl)[2-(2-hydroxyphenyl)ethyl]amino]-5,6,7,8-tetrahydro-2-quinolinecarboxylate
- IUPAC
- ethyl 5-[(5-ethoxy-5-oxopentyl)-[2-(2-hydroxyphenyl)ethyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylate
Names & synonyms
SCHEMBL15437224CDBQLTTUVXGTGD-UHFFFAOYSA-NDB-3854491542131-84-9Ethyl 5-[(5-ethoxy-5-oxopentyl)[2-(2-hydroxyphenyl)ethyl]amino]-5,6,7,8-tetrahydro-2-quinolinecarboxylateethyl 5-{(5-ethoxy-5-oxopentyl)[2-(2-hydroxyphenyl)-ethyl]amino}-5,6,7,8-tetrahydroquinoline-2-carboxylaterac-Ethyl 5-{(5-ethoxy-5-oxopentyl)[2-(2-hydroxyphenyl)ethyl]amino}-5,6,7,8-tetrahydroquinoline-2-carboxylate
Database identifiers
- PubChem CID
- 89940835
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 630
Related reactions
2 records
Compound notes
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