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3-Methyl-4-(6-methyl-2,3-dihydropyrrolo[3,2-c]cinnolin-1-yl)phenol (HCID 20072761)|Huagongshe
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Compound
3-Methyl-4-(6-methyl-2,3-dihydropyrrolo[3,2-c]cinnolin-1-yl)phenol
HCID
20072761
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
Cc1cc(O)ccc1N1CCc2nnc3c(C)cccc3c21
InChIKey
BJTKQODRBKRPLR-UHFFFAOYSA-N
Molecular formula
C18H17N3O
Average molar mass
291.3 g/mol
Names & identifiers
Preferred name
3-Methyl-4-(6-methyl-2,3-dihydropyrrolo[3,2-c]cinnolin-1-yl)phenol
IUPAC
3-methyl-4-(6-methyl-2,3-dihydropyrrolo[3,2-c]cinnolin-1-yl)phenol
Database identifiers
PubChem CID
20072761
Properties
Computed structural properties
XLogP
3.3
Topological polar surface area
49.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
22
Formal charge
0
Complexity
404
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Related reactions
1 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
829466
As product
Test data from https://doi.org/10.1039/C8SC04228D
Compound notes
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