4-chloro-5-(4-methoxyanilino)-2-phenylpyridazin-3-one

C17H14ClN3O2 — CID 2683906

IUPAC4-chloro-5-(4-methoxyanilino)-2-phenylpyridazin-3-one
SMILESCOc1ccc(Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1
InChIInChI=1S/C17H14ClN3O2/c1-23-14-9-7-12(8-10-14)20-15-11-19-21(17(22)16(15)18)13-5-3-2-4-6-13/h2-11,20H,1H3
InChIKeyPEGUUWCADPAGCI-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.64
Rot. Bonds4

About 4-chloro-5-(4-methoxyanilino)-2-phenylpyridazin-3-one

4-chloro-5-(4-methoxyanilino)-2-phenylpyridazin-3-one (PubChem CID 2683906) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 4-chloro-5-(4-methoxyanilino)-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(4-methoxyanilino)-2-phenylpyridazin-3-one
PubChem CID2683906
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name4-chloro-5-(4-methoxyanilino)-2-phenylpyridazin-3-one
SMILESCOc1ccc(Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1
InChIInChI=1S/C17H14ClN3O2/c1-23-14-9-7-12(8-10-14)20-15-11-19-21(17(22)16(15)18)13-5-3-2-4-6-13/h2-11,20H,1H3
InChIKeyPEGUUWCADPAGCI-UHFFFAOYSA-N
XLogP3.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-methoxyanilino)-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(4-methoxyanilino)-2-phenylpyridazin-3-one (CID 2683906) is 4-chloro-5-(4-methoxyanilino)-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(4-methoxyanilino)-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(4-methoxyanilino)-2-phenylpyridazin-3-one is COc1ccc(Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1.
What is the InChIKey of 4-chloro-5-(4-methoxyanilino)-2-phenylpyridazin-3-one?
The InChIKey is PEGUUWCADPAGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-23-14-9-7-12(8-10-14)20-15-11-19-21(17(22)16(15)18)13-5-3-2-4-6-13/h2-11,20H,1H3.
What are the key properties of 4-chloro-5-(4-methoxyanilino)-2-phenylpyridazin-3-one?
4-chloro-5-(4-methoxyanilino)-2-phenylpyridazin-3-one has a molecular weight of 327.77 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-methoxyanilino)-2-phenylpyridazin-3-one is sourced from PubChem (CID 2683906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).