3,4-Dimethylphenyl 2-(4-bromophenyl)-6-methyl-4-quinolinecarboxylate
Basic information
- CAS
355414-02-7- Standard SMILES
Cc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)Oc3ccc(C)c(C)c3)c2c1- InChIKey
UAMRZSMCVDQOSX-UHFFFAOYSA-N- Molecular formula
- C25H20BrNO2
- Average molar mass
- 446.3 g/mol
- Monoisotopic mass
- 445.06774
Names & identifiers
- Preferred name
- 3,4-Dimethylphenyl 2-(4-bromophenyl)-6-methyl-4-quinolinecarboxylate
- IUPAC
- (3,4-dimethylphenyl) 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate
- English name
- 3,4-dimethylphenyl 2-(4-bromophenyl)-6-methyl-4-quinolinecarboxylate
- Molecular formula
- C25H20BrNO2
- Molecular weight
- 446.3358
Names & synonyms
3,4-dimethylphenyl 2-(4-bromophenyl)-6-methyl-4-quinolinecarboxylate3,4-dimethylphenyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylateAK-918/41198048STK269755(3,4-dimethylphenyl) 2-(4-bromophenyl)-6-methylquinoline-4-carboxylateAKOS003260225ST50854539
Database identifiers
- CAS
355414-02-7- PubChem CID
- 1739293
- EC Number
- 126-193-2
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 561
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