8-Ethyl-3-hydroxy-2-[(1H-indol-3-yl)methyl]quinoline-4-carboxylic acid

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Basic information

CAS: 924634-59-3
Standard SMILES: CCc1cccc2c(C(=O)O)c(O)c(Cc3c[nH]c4ccccc34)nc12
InChIKey: DLWNYTLQAVGLRV-UHFFFAOYSA-N
Molecular formula: C21H18N2O3
Average molar mass: 346.4 g/mol
Monoisotopic mass: 346.13174244

Names & identifiers

Preferred name: 8-Ethyl-3-hydroxy-2-[(1H-indol-3-yl)methyl]quinoline-4-carboxylic acid
IUPAC: 8-ethyl-3-hydroxy-2-(1H-indol-3-ylmethyl)quinoline-4-carboxylic acid

Names & synonyms

924634-59-32-((1H-Indol-3-yl)methyl)-8-ethyl-3-hydroxyquinoline-4-carboxylic acidCHEMBL375392DTXSID305827838-Ethyl-3-hydroxy-2-[(1H-indol-3-yl)methyl]quinoline-4-carboxylic acid

Database identifiers

CAS: 924634-59-3
PubChem CID: 16100201
DTXSID: DTXSID30582783
ChEMBL: CHEMBL375392

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 86.2 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 26
Formal charge: 0
Complexity: 513

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Compound notes

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