4-(4-chlorophenoxy)-2-(4-fluorophenyl)-5-morpholin-4-ylpyridazin-3-one

C20H17ClFN3O3 — CID 1484424

IUPAC4-(4-chlorophenoxy)-2-(4-fluorophenyl)-5-morpholin-4-ylpyridazin-3-one
SMILESO=c1c(Oc2ccc(Cl)cc2)c(N2CCOCC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H17ClFN3O3/c21-14-1-7-17(8-2-14)28-19-18(24-9-11-27-12-10-24)13-23-25(20(19)26)16-5-3-15(22)4-6-16/h1-8,13H,9-12H2
InChIKeyYQFYLKATXWHPLV-UHFFFAOYSA-N
MW401.83 g/mol
LogP3.65
Rot. Bonds4

About 4-(4-chlorophenoxy)-2-(4-fluorophenyl)-5-morpholin-4-ylpyridazin-3-one

4-(4-chlorophenoxy)-2-(4-fluorophenyl)-5-morpholin-4-ylpyridazin-3-one (PubChem CID 1484424) has the molecular formula C20H17ClFN3O3 and a molecular weight of 401.83 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-2-(4-fluorophenyl)-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-2-(4-fluorophenyl)-5-morpholin-4-ylpyridazin-3-one
PubChem CID1484424
Molecular FormulaC20H17ClFN3O3
Molecular Weight401.83 g/mol
Exact Mass401.09
IUPAC Name4-(4-chlorophenoxy)-2-(4-fluorophenyl)-5-morpholin-4-ylpyridazin-3-one
SMILESO=c1c(Oc2ccc(Cl)cc2)c(N2CCOCC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H17ClFN3O3/c21-14-1-7-17(8-2-14)28-19-18(24-9-11-27-12-10-24)13-23-25(20(19)26)16-5-3-15(22)4-6-16/h1-8,13H,9-12H2
InChIKeyYQFYLKATXWHPLV-UHFFFAOYSA-N
XLogP3.65
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.83
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-2-(4-fluorophenyl)-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 4-(4-chlorophenoxy)-2-(4-fluorophenyl)-5-morpholin-4-ylpyridazin-3-one (CID 1484424) is 4-(4-chlorophenoxy)-2-(4-fluorophenyl)-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 4-(4-chlorophenoxy)-2-(4-fluorophenyl)-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 4-(4-chlorophenoxy)-2-(4-fluorophenyl)-5-morpholin-4-ylpyridazin-3-one is O=c1c(Oc2ccc(Cl)cc2)c(N2CCOCC2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)-2-(4-fluorophenyl)-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is YQFYLKATXWHPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O3/c21-14-1-7-17(8-2-14)28-19-18(24-9-11-27-12-10-24)13-23-25(20(19)26)16-5-3-15(22)4-6-16/h1-8,13H,9-12H2.
What are the key properties of 4-(4-chlorophenoxy)-2-(4-fluorophenyl)-5-morpholin-4-ylpyridazin-3-one?
4-(4-chlorophenoxy)-2-(4-fluorophenyl)-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 401.83 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-2-(4-fluorophenyl)-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 1484424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).