Basic information
- Standard SMILES
COC(=O)c1c(CBr)c(=O)c2ccc(Cl)cc2n1-c1ccccc1- InChIKey
AGYJCFABVUDBBV-UHFFFAOYSA-N- Molecular formula
- C18H13BrClNO3
- Average molar mass
- 406.7 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(bromomethyl)-7-chloro-4-oxo-1-phenyl-1,4-dihydroquinoline-2-carboxylate
- IUPAC
- methyl 3-(bromomethyl)-7-chloro-4-oxo-1-phenylquinoline-2-carboxylate
Names & synonyms
SCHEMBL12983978AGYJCFABVUDBBV-UHFFFAOYSA-NDB-2092233-bromomethyl-7-chloro-4-oxo-1-phenyl-1,4-dihydro-quinoline-2-carboxylic acid methyl esterMethyl 3-(bromomethyl)-7-chloro-1,4-dihydro-4-oxo-1-phenylquinoline-2-carboxylatemethyl 3-(bromomethyl)-7-chloro-4-oxo-1-phenyl-1,4-dihydroquinoline-2-carboxylate1402345-34-9
Database identifiers
- PubChem CID
- 86672058
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 544
Related reactions
12 records
Compound notes
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