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3-Phenylquinoline-5-carbonitrile

HCID 9794601
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1cccc2ncc(-c3ccccc3)cc12
InChIKey
JQVVFNVPVJWFFF-UHFFFAOYSA-N
Molecular formula
C16H10N2
Average molar mass
230.26 g/mol

Names & identifiers

Preferred name
3-Phenylquinoline-5-carbonitrile
IUPAC
3-phenylquinoline-5-carbonitrile

Names & synonyms

3-phenylquinoline-5-carbonitrileSCHEMBL8910843JQVVFNVPVJWFFF-UHFFFAOYSA-N

Database identifiers

PubChem CID
9794601

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
36.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
18
Formal charge
0
Complexity
323

Related reactions

2 records
New reaction record
HRID 104819 reaction equation
HRID 104819As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 266224 reaction equation
HRID 266224As reactantuspto-grants-1997_07

Compound notes

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