Basic information
- CAS
312315-86-9- Standard SMILES
COC(=O)C1=C(N)N(c2ccccc2F)C2=C(C(=O)CC(C)(C)C2)C1c1ccc(Br)cc1- InChIKey
KZTHAXPIIOBODW-UHFFFAOYSA-N- Molecular formula
- C25H24BrFN2O3
- Average molar mass
- 499.4 g/mol
- Monoisotopic mass
- 498.09543
Names & identifiers
- Preferred name
- Methyl 2-amino-4-(4-bromophenyl)-1-(2-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- methyl 2-amino-4-(4-bromophenyl)-1-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxylate
Names & synonyms
methyl 2-amino-4-(4-bromophenyl)-1-(2-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylatemethyl 2-amino-4-(4-bromophenyl)-1-(2-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxylateOprea1_743623DTXSID001106611STK758500AKOS001735857AKOS022012614312315-86-9ST4040159EU-0085070AG-205/11448220SR-01000520818
Show more names
SR-01000520818-1Methyl 2-amino-4-(4-bromophenyl)-1-(2-fluorophenyl)-1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-3-quinolinecarboxylate
Database identifiers
- CAS
312315-86-9- PubChem CID
- 3585366
- DTXSID
DTXSID001106611
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 844
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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