N-(4-chlorophenyl)-4-[1-(pyridin-4-yl)ethyl]phthalazin-1-amine

HCID 6326422

Notes Reactions

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Basic information

Standard SMILES: CC(c1ccncc1)c1nnc(Nc2ccc(Cl)cc2)c2ccccc12
InChIKey: AFECIUCRUIZUKP-UHFFFAOYSA-N
Molecular formula: C21H17ClN4
Average molar mass: 360.8 g/mol

Names & identifiers

Preferred name: N-(4-chlorophenyl)-4-[1-(pyridin-4-yl)ethyl]phthalazin-1-amine
IUPAC: N-(4-chlorophenyl)-4-(1-pyridin-4-ylethyl)phthalazin-1-amine

Names & synonyms

CHEMBL78160BDBM4861SCHEMBL6606312AFECIUCRUIZUKP-UHFFFAOYSA-NN-(4-chlorophenyl)-4-[1-(pyridin-4-yl)ethyl]phthalazin-1-aminerac 1-(4-Chloroanilino) 4-[1-(4-pyridyl)ethyl]phthalazinerac-1-(4-Chloroanilino)-4-[1-(4-pyridyl)ethyl]phthalazine

Database identifiers

PubChem CID: 6326422
ChEMBL: CHEMBL78160
Nikkaji: J1.368.837K

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 50.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 26
Formal charge: 0
Complexity: 434

Related reactions

4 records

New reaction record

HRID 49899As productuspto-grants-2004_03

HRID 210119As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1057717As productuspto-grants-2003_02

HRID 1384141As productuspto-grants-2001_07

Compound notes

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