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7-chloro-4-(2-methyl-5-methylsulfonyl-1H-indol-3-yl)quinoline (HCID 68458577)|Huagongshe
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Compound
7-chloro-4-(2-methyl-5-methylsulfonyl-1H-indol-3-yl)quinoline
HCID
68458577
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccnc2cc(Cl)ccc12
InChIKey
ZWLZQROKVMCERC-UHFFFAOYSA-N
Molecular formula
C19H15ClN2O2S
Average molar mass
370.9 g/mol
Names & identifiers
Preferred name
7-chloro-4-(2-methyl-5-methylsulfonyl-1H-indol-3-yl)quinoline
IUPAC
7-chloro-4-(2-methyl-5-methylsulfonyl-1H-indol-3-yl)quinoline
Names & synonyms
SCHEMBL2962412
Database identifiers
PubChem CID
68458577
Properties
Computed structural properties
XLogP
4.2
Topological polar surface area
71.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
25
Formal charge
0
Complexity
593
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Related reactions
1 records
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As reactant
As product
As reagent
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As solvent
HRID
1122978
As product
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Compound notes
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