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N-[6-[4-[1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]quinolin-7-amine

HCID 76591118
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(c1ccc(F)cc1)N1CCN(c2cc(Nc3ccc4cccnc4c3)ncn2)CC1
InChIKey
GPVOVSQQFKYYGQ-UHFFFAOYSA-N
Molecular formula
C25H25FN6
Average molar mass
428.5 g/mol
Monoisotopic mass
428.21247299

Names & identifiers

Preferred name
N-[6-[4-[1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]quinolin-7-amine
IUPAC
N-[6-[4-[1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]quinolin-7-amine

Database identifiers

PubChem CID
76591118

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
57.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
32
Formal charge
0
Complexity
577

Related reactions

1 records
New reaction record
HRID 699970 reaction equation
HRID 699970As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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