2-(5-Bromo-1H-indol-3-yl)-7-chloro-4-quinolinecarboxylic acid
Basic information
- CAS
325800-41-7- Standard SMILES
O=C(O)c1cc(-c2c[nH]c3ccc(Br)cc23)nc2cc(Cl)ccc12- InChIKey
LOMXYQVQBXDLOA-UHFFFAOYSA-N- Molecular formula
- C18H10BrClN2O2
- Average molar mass
- 401.6 g/mol
- Monoisotopic mass
- 399.96142
Names & identifiers
- Preferred name
- 2-(5-Bromo-1H-indol-3-yl)-7-chloro-4-quinolinecarboxylic acid
- IUPAC
- 2-(5-bromo-1H-indol-3-yl)-7-chloroquinoline-4-carboxylic acid
Names & synonyms
CHEMBL90283DTXSID0011821862-(5-Bromo-1H-indol-3-yl)-7-chloro-4-quinolinecarboxylic acid2-(5-bromo-1H-indol-3-yl)-7-chloroquinoline-4-carboxylic acid325800-41-7
Database identifiers
- CAS
325800-41-7- PubChem CID
- 44323976
- DTXSID
DTXSID001182186- ChEMBL
CHEMBL90283- Nikkaji
- J1.431.777E
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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