2-(3,4-dichlorophenyl)-6-(4-morpholin-4-ylbutoxy)pyridazin-3-one

C18H21Cl2N3O3 — CID 148898891

IUPAC2-(3,4-dichlorophenyl)-6-(4-morpholin-4-ylbutoxy)pyridazin-3-one
SMILESO=c1ccc(OCCCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H21Cl2N3O3/c19-15-4-3-14(13-16(15)20)23-18(24)6-5-17(21-23)26-10-2-1-7-22-8-11-25-12-9-22/h3-6,13H,1-2,7-12H2
InChIKeyPGJZKHYHLOUBAZ-UHFFFAOYSA-N
MW398.29 g/mol
LogP3.03
Rot. Bonds7

About 2-(3,4-dichlorophenyl)-6-(4-morpholin-4-ylbutoxy)pyridazin-3-one

2-(3,4-dichlorophenyl)-6-(4-morpholin-4-ylbutoxy)pyridazin-3-one (PubChem CID 148898891) has the molecular formula C18H21Cl2N3O3 and a molecular weight of 398.29 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-6-(4-morpholin-4-ylbutoxy)pyridazin-3-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-6-(4-morpholin-4-ylbutoxy)pyridazin-3-one
PubChem CID148898891
Molecular FormulaC18H21Cl2N3O3
Molecular Weight398.29 g/mol
Exact Mass397.10
IUPAC Name2-(3,4-dichlorophenyl)-6-(4-morpholin-4-ylbutoxy)pyridazin-3-one
SMILESO=c1ccc(OCCCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H21Cl2N3O3/c19-15-4-3-14(13-16(15)20)23-18(24)6-5-17(21-23)26-10-2-1-7-22-8-11-25-12-9-22/h3-6,13H,1-2,7-12H2
InChIKeyPGJZKHYHLOUBAZ-UHFFFAOYSA-N
XLogP3.03
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxybutyl]morpholine;hydrochloride
CID 67204666
4-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]morpholine
CID 11668112
4-[2-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethoxy]ethyl]morpholine
CID 24739749
2-(3,4-dichlorophenyl)-6-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]pyridazin-3-one
CID 134130676
1-[4-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]piperazin-1-yl]ethanone
CID 24743842
2-(2,5-dichlorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one
CID 127050806
1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-1-ylbutoxy)pyrazole
CID 11674772
4-[2-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine
CID 54673475
4-[2-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]ethoxy]ethyl]morpholine
CID 54673778
1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole;hydrochloride
CID 67203920
1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 3546360
1-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]piperidine
CID 11689464

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-6-(4-morpholin-4-ylbutoxy)pyridazin-3-one?
The IUPAC name of 2-(3,4-dichlorophenyl)-6-(4-morpholin-4-ylbutoxy)pyridazin-3-one (CID 148898891) is 2-(3,4-dichlorophenyl)-6-(4-morpholin-4-ylbutoxy)pyridazin-3-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-6-(4-morpholin-4-ylbutoxy)pyridazin-3-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)-6-(4-morpholin-4-ylbutoxy)pyridazin-3-one is O=c1ccc(OCCCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-6-(4-morpholin-4-ylbutoxy)pyridazin-3-one?
The InChIKey is PGJZKHYHLOUBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O3/c19-15-4-3-14(13-16(15)20)23-18(24)6-5-17(21-23)26-10-2-1-7-22-8-11-25-12-9-22/h3-6,13H,1-2,7-12H2.
What are the key properties of 2-(3,4-dichlorophenyl)-6-(4-morpholin-4-ylbutoxy)pyridazin-3-one?
2-(3,4-dichlorophenyl)-6-(4-morpholin-4-ylbutoxy)pyridazin-3-one has a molecular weight of 398.29 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-6-(4-morpholin-4-ylbutoxy)pyridazin-3-one is sourced from PubChem (CID 148898891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).