Basic information
- Standard SMILES
Clc1ccc(Nc2nnc(OCc3cccnc3)c3ccccc23)cc1- InChIKey
NXQCPNSHDAECMC-UHFFFAOYSA-N- Molecular formula
- C20H15ClN4O
- Average molar mass
- 362.8 g/mol
Names & identifiers
- Preferred name
- 1-(4-Chlorophenylamino)-4-(3-pyridylmethoxy)phthalazine
- IUPAC
- N-(4-chlorophenyl)-4-(pyridin-3-ylmethoxy)phthalazin-1-amine
Names & synonyms
SCHEMBL6505478NXQCPNSHDAECMC-UHFFFAOYSA-N1-(4-chlorophenylamino)-4-(3-pyridylmethoxy)phthalazine
Database identifiers
- PubChem CID
- 9950880
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 59.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 432
Related reactions
2 records
Compound notes
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