1-(4-Chloroanilino)-4-(4-pyridylmethylamino)phthalazine

HCID 6326421
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Basic information

Standard SMILES
Clc1ccc(Nc2nnc(NCc3ccncc3)c3ccccc23)cc1
InChIKey
HXPCKJPCDLSTDD-UHFFFAOYSA-N
Molecular formula
C20H16ClN5
Average molar mass
361.8 g/mol

Names & identifiers

Preferred name
1-(4-Chloroanilino)-4-(4-pyridylmethylamino)phthalazine
IUPAC
1-N-(4-chlorophenyl)-4-N-(pyridin-4-ylmethyl)phthalazine-1,4-diamine

Names & synonyms

1-(4-Chloroanilino)-4-(4-pyridylmethylamino)phthalazineCHEMBL74034BDBM4860SCHEMBL6607294HXPCKJPCDLSTDD-UHFFFAOYSA-N1-N-(4-chlorophenyl)-4-N-(pyridin-4-ylmethyl)phthalazine-1,4-diamine

Database identifiers

PubChem CID
6326421
ChEMBL
CHEMBL74034
Nikkaji
J1.368.836B

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
62.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
26

Related reactions

4 records
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Linked notes

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