6-(3-chlorophenyl)-2-(3-morpholin-4-ylpropyl)-4-phenylpyridazin-3-one

C23H24ClN3O2 — CID 3038268

IUPAC6-(3-chlorophenyl)-2-(3-morpholin-4-ylpropyl)-4-phenylpyridazin-3-one
SMILESO=c1c(-c2ccccc2)cc(-c2cccc(Cl)c2)nn1CCCN1CCOCC1
InChIInChI=1S/C23H24ClN3O2/c24-20-9-4-8-19(16-20)22-17-21(18-6-2-1-3-7-18)23(28)27(25-22)11-5-10-26-12-14-29-15-13-26/h1-4,6-9,16-17H,5,10-15H2
InChIKeyGYWLHNUYACAKKP-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.95
Rot. Bonds6

About 6-(3-chlorophenyl)-2-(3-morpholin-4-ylpropyl)-4-phenylpyridazin-3-one

6-(3-chlorophenyl)-2-(3-morpholin-4-ylpropyl)-4-phenylpyridazin-3-one (PubChem CID 3038268) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-2-(3-morpholin-4-ylpropyl)-4-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-(3-chlorophenyl)-2-(3-morpholin-4-ylpropyl)-4-phenylpyridazin-3-one
PubChem CID3038268
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name6-(3-chlorophenyl)-2-(3-morpholin-4-ylpropyl)-4-phenylpyridazin-3-one
SMILESO=c1c(-c2ccccc2)cc(-c2cccc(Cl)c2)nn1CCCN1CCOCC1
InChIInChI=1S/C23H24ClN3O2/c24-20-9-4-8-19(16-20)22-17-21(18-6-2-1-3-7-18)23(28)27(25-22)11-5-10-26-12-14-29-15-13-26/h1-4,6-9,16-17H,5,10-15H2
InChIKeyGYWLHNUYACAKKP-UHFFFAOYSA-N
XLogP3.95
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-2-(3-morpholin-4-ylpropyl)-4-phenylpyridazin-3-one?
The IUPAC name of 6-(3-chlorophenyl)-2-(3-morpholin-4-ylpropyl)-4-phenylpyridazin-3-one (CID 3038268) is 6-(3-chlorophenyl)-2-(3-morpholin-4-ylpropyl)-4-phenylpyridazin-3-one.
What is the SMILES notation for 6-(3-chlorophenyl)-2-(3-morpholin-4-ylpropyl)-4-phenylpyridazin-3-one?
The canonical SMILES for 6-(3-chlorophenyl)-2-(3-morpholin-4-ylpropyl)-4-phenylpyridazin-3-one is O=c1c(-c2ccccc2)cc(-c2cccc(Cl)c2)nn1CCCN1CCOCC1.
What is the InChIKey of 6-(3-chlorophenyl)-2-(3-morpholin-4-ylpropyl)-4-phenylpyridazin-3-one?
The InChIKey is GYWLHNUYACAKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c24-20-9-4-8-19(16-20)22-17-21(18-6-2-1-3-7-18)23(28)27(25-22)11-5-10-26-12-14-29-15-13-26/h1-4,6-9,16-17H,5,10-15H2.
What are the key properties of 6-(3-chlorophenyl)-2-(3-morpholin-4-ylpropyl)-4-phenylpyridazin-3-one?
6-(3-chlorophenyl)-2-(3-morpholin-4-ylpropyl)-4-phenylpyridazin-3-one has a molecular weight of 409.92 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-2-(3-morpholin-4-ylpropyl)-4-phenylpyridazin-3-one is sourced from PubChem (CID 3038268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).