8-Chloro-3-hydroxy-2-[(1H-indol-3-yl)methyl]quinoline-4-carboxylic acid
Basic information
- CAS
924634-64-0- Standard SMILES
O=C(O)c1c(O)c(Cc2c[nH]c3ccccc23)nc2c(Cl)cccc12- InChIKey
AEDNWZGMBJSIAO-UHFFFAOYSA-N- Molecular formula
- C19H13ClN2O3
- Average molar mass
- 352.8 g/mol
- Monoisotopic mass
- 352.06147
Names & identifiers
- Preferred name
- 8-Chloro-3-hydroxy-2-[(1H-indol-3-yl)methyl]quinoline-4-carboxylic acid
- IUPAC
- 8-chloro-3-hydroxy-2-(1H-indol-3-ylmethyl)quinoline-4-carboxylic acid
Names & synonyms
924634-64-02-((1H-Indol-3-yl)methyl)-8-chloro-3-hydroxyquinoline-4-carboxylic acidCHEMBL414945DTXSID005827708-Chloro-3-hydroxy-2-[(1H-indol-3-yl)methyl]quinoline-4-carboxylic acid
Database identifiers
- CAS
924634-64-0- PubChem CID
- 16100166
- DTXSID
DTXSID00582770- ChEMBL
CHEMBL414945
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 505
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Compound notes
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