1-(4-Chloroanilino)-4-(4-pyridylmethyl)phthalazine-3-oxide

HCID 22741979

Notes Reactions

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Basic information

Standard SMILES: [O-][n+]1nc(Nc2ccc(Cl)cc2)c2ccccc2c1Cc1ccncc1
InChIKey: OFXDMQHIWWYKKA-UHFFFAOYSA-N
Molecular formula: C20H15ClN4O
Average molar mass: 362.8 g/mol

Names & identifiers

Preferred name: 1-(4-Chloroanilino)-4-(4-pyridylmethyl)phthalazine-3-oxide
IUPAC: N-(4-chlorophenyl)-3-oxido-4-(pyridin-4-ylmethyl)phthalazin-3-ium-1-amine

Names & synonyms

SCHEMBL6612210OFXDMQHIWWYKKA-UHFFFAOYSA-N1 -(4-Chloroanilino)-4-(4-pyridylmethyl)phthalazine-3-oxide1-(4-Chloroanilino)-4-(4-pyridylmethyl)phthalazine-3-oxide

Database identifiers

PubChem CID: 22741979

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 26
Formal charge: 0
Complexity: 440

Related reactions

5 records

New reaction record

HRID 49892As productuspto-grants-2004_03

HRID 140343As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 831160As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1057710As productuspto-grants-2003_02

HRID 1384134As productuspto-grants-2001_07

Compound notes

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