Rac-ethyl 5-{(tert-butoxycarbonyl)[2-(5-fluoro-2-hydroxyphenyl)ethyl]-amino}-5,6,7,8-tetrahydroquinoline-2-carboxylate
Basic information
- Standard SMILES
CCOC(=O)c1ccc2c(n1)CCCC2N(CCc1cc(F)ccc1O)C(=O)OC(C)(C)C- InChIKey
DLTZWRSHQHHYIX-UHFFFAOYSA-N- Molecular formula
- C25H31FN2O5
- Average molar mass
- 458.5 g/mol
- Monoisotopic mass
- 458.22170026
Names & identifiers
- Preferred name
- Rac-ethyl 5-{(tert-butoxycarbonyl)[2-(5-fluoro-2-hydroxyphenyl)ethyl]-amino}-5,6,7,8-tetrahydroquinoline-2-carboxylate
- IUPAC
- ethyl 5-[2-(5-fluoro-2-hydroxyphenyl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylate
Names & synonyms
SCHEMBL15449263DLTZWRSHQHHYIX-UHFFFAOYSA-Nrac-Ethyl 5-{(tert-butoxycarbonyl) [2-(5-fluoro-2-hydroxyphenyl)ethyl]amino}-5,6,7,8-tetrahydroquinoline-2-carboxylaterac-ethyl 5-{(tert-butoxycarbonyl)[2-(5-fluoro-2-hydroxyphenyl)ethyl]-amino}-5,6,7,8-tetrahydroquinoline-2-carboxylaterac-Ethyl 5-{(tert-butoxycarbonyl)[2-(5-fluoro-2-hydroxyphenyl)ethyl]amino}-5,6,7,8-tetrahydroquinoline-2-carboxylate
Database identifiers
- PubChem CID
- 89950552
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 670
Related reactions
3 records
Compound notes
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