6-(4-chlorophenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one

C17H18ClN3O3 — CID 3238759

IUPAC6-(4-chlorophenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one
SMILESO=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCOCC1
InChIInChI=1S/C17H18ClN3O3/c18-14-3-1-13(2-4-14)15-5-6-17(23)21(19-15)8-7-16(22)20-9-11-24-12-10-20/h1-6H,7-12H2
InChIKeyQSEGCEHDKKPSNW-UHFFFAOYSA-N
MW347.80 g/mol
LogP1.81
Rot. Bonds4

About 6-(4-chlorophenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one

6-(4-chlorophenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one (PubChem CID 3238759) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one
PubChem CID3238759
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name6-(4-chlorophenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one
SMILESO=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCOCC1
InChIInChI=1S/C17H18ClN3O3/c18-14-3-1-13(2-4-14)15-5-6-17(23)21(19-15)8-7-16(22)20-9-11-24-12-10-20/h1-6H,7-12H2
InChIKeyQSEGCEHDKKPSNW-UHFFFAOYSA-N
XLogP1.81
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-{[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}piperazine-1-carboxylate
CID 3239673
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[3-(diethylamino)propyl]propanamide
CID 5046060
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[2-(dimethylamino)ethyl]propanamide
CID 3617297
N-butyl-3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]propanamide
CID 5046316
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(3-methoxypropyl)propanamide
CID 5046318
3(2H)-Pyridazinone, 4-methyl-2-(2-morpholinoethyl)-6-phenyl-, hydrochloride
CID 200792
3(2H)-Pyridazinone, 4-methyl-2-(morpholinocarbonylmethyl)-6-phenyl-
CID 207645
Methyl (3-(4-chlorophenyl)-6-oxo-1(6H)-pyridazinyl)acetate
CID 40488795
2-[3-(4-Chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-[2-(morpholin-4-YL)ethyl]acetamide
CID 4422325
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-[2-(diethylamino)ethyl]propanamide
CID 5046062
6-(4-chlorophenyl)-2-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-3-oxopropyl]pyridazin-3(2H)-one
CID 5046312
3-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(3-ethoxypropyl)propanamide
CID 5046319

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one?
The IUPAC name of 6-(4-chlorophenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one (CID 3238759) is 6-(4-chlorophenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one is O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCOCC1.
What is the InChIKey of 6-(4-chlorophenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one?
The InChIKey is QSEGCEHDKKPSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c18-14-3-1-13(2-4-14)15-5-6-17(23)21(19-15)8-7-16(22)20-9-11-24-12-10-20/h1-6H,7-12H2.
What are the key properties of 6-(4-chlorophenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one?
6-(4-chlorophenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one has a molecular weight of 347.80 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3-one is sourced from PubChem (CID 3238759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).