Ethyl 2-amino-4-(3-hydroxy-4-methoxyphenyl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
Basic information
- CAS
311795-04-7- Standard SMILES
CCOC(=O)C1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)C1c1ccc(OC)c(O)c1- InChIKey
MZECMCIJASRYJR-UHFFFAOYSA-N- Molecular formula
- C25H25N3O7
- Average molar mass
- 479.5 g/mol
- Monoisotopic mass
- 479.16925015
Names & identifiers
- Preferred name
- Ethyl 2-amino-4-(3-hydroxy-4-methoxyphenyl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- IUPAC
- ethyl 2-amino-4-(3-hydroxy-4-methoxyphenyl)-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylate
- English name
- ethyl 2-amino-4-(3-hydroxy-4-methoxyphenyl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- Molecular formula
- C25H25N3O7
- Molecular weight
- 479.4819
Names & synonyms
311795-04-7ethyl 2-amino-4-(3-hydroxy-4-methoxyphenyl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateethyl 2-amino-4-(3-hydroxy-4-methoxyphenyl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateOprea1_570144ethyl 2-amino-4-(3-hydroxy-4-methoxyphenyl)-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateSTK756530AKOS001732486AKOS022013076ethyl 2-amino-4-(3-hydroxy-4-methoxyphenyl)-1-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylateAG-205/36953109SR-01000517349SR-01000517349-1
Database identifiers
- CAS
311795-04-7- PubChem CID
- 4667157
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 925
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Compound notes
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