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2-(6-Methylquinolin-2-yl)benzonitrile

HCID 21804239
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1ccc2nc(-c3ccccc3C#N)ccc2c1
InChIKey
OHDRAXVUXHSWRE-UHFFFAOYSA-N
Molecular formula
C17H12N2
Average molar mass
244.29 g/mol

Names & identifiers

Preferred name
2-(6-Methylquinolin-2-yl)benzonitrile
IUPAC
2-(6-methylquinolin-2-yl)benzonitrile

Names & synonyms

SCHEMBL8482877OHDRAXVUXHSWRE-UHFFFAOYSA-N2-(6-methylquinolin-2-yl)benzonitrile2-(6-methyl-quinolin-2-yl)benzonitrile

Database identifiers

PubChem CID
21804239

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
36.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
19
Formal charge
0
Complexity
356

Related reactions

5 records
New reaction record
HRID 90196 reaction equation
HRID 90196As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1377967 reaction equation
HRID 1377967As productuspto-grants-1997_09
HRID 1377968 reaction equation
HRID 1377968As reactantuspto-grants-1997_09
HRID 2260551 reaction equation
HRID 2260551As productuspto-grants-1995_12
HRID 2260552 reaction equation
HRID 2260552As reactantuspto-grants-1995_12

Compound notes

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