6-(4-chlorophenyl)-2-[1-(oxolane-3-carbonyl)azetidin-3-yl]pyridazin-3-one

C18H18ClN3O3 — CID 139028939

IUPAC6-(4-chlorophenyl)-2-[1-(oxolane-3-carbonyl)azetidin-3-yl]pyridazin-3-one
SMILESO=C(C1CCOC1)N1CC(n2nc(-c3ccc(Cl)cc3)ccc2=O)C1
InChIInChI=1S/C18H18ClN3O3/c19-14-3-1-12(2-4-14)16-5-6-17(23)22(20-16)15-9-21(10-15)18(24)13-7-8-25-11-13/h1-6,13,15H,7-11H2
InChIKeyCAMDFMLRKJROGQ-UHFFFAOYSA-N
MW359.81 g/mol
LogP1.98
Rot. Bonds3

About 6-(4-chlorophenyl)-2-[1-(oxolane-3-carbonyl)azetidin-3-yl]pyridazin-3-one

6-(4-chlorophenyl)-2-[1-(oxolane-3-carbonyl)azetidin-3-yl]pyridazin-3-one (PubChem CID 139028939) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[1-(oxolane-3-carbonyl)azetidin-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-[1-(oxolane-3-carbonyl)azetidin-3-yl]pyridazin-3-one
PubChem CID139028939
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name6-(4-chlorophenyl)-2-[1-(oxolane-3-carbonyl)azetidin-3-yl]pyridazin-3-one
SMILESO=C(C1CCOC1)N1CC(n2nc(-c3ccc(Cl)cc3)ccc2=O)C1
InChIInChI=1S/C18H18ClN3O3/c19-14-3-1-12(2-4-14)16-5-6-17(23)22(20-16)15-9-21(10-15)18(24)13-7-8-25-11-13/h1-6,13,15H,7-11H2
InChIKeyCAMDFMLRKJROGQ-UHFFFAOYSA-N
XLogP1.98
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chlorophenyl)-2-[1-(1H-pyrazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one
CID 139027620
[(3R,4S)-3-(4-chlorophenyl)-4-methylpyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 123667986
[(3S)-oxolan-3-yl]-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 97342620
2-[(1R,5S)-3-(cyclobutanecarbonyl)-3-azabicyclo[3.3.1]nonan-9-yl]-6-phenylpyridazin-3-one
CID 92575659
2-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one
CID 139027657
[2-(4-chlorophenyl)azetidin-1-yl]-(oxolan-3-yl)methanone
CID 71929460
2-(1-butanoylazetidin-3-yl)-6-phenylpyridazin-3-one
CID 92586204
6-phenyl-2-[1-(quinoxaline-2-carbonyl)azetidin-3-yl]pyridazin-3-one
CID 139023744
(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(3S)-oxolan-3-yl]methanone
CID 175915760
6-(4-chlorophenyl)-2-[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidin-3-yl]pyridazin-3-one
CID 139027671
(7S)-2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 97032410
2-(4-chlorophenyl)-7-hydroxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 91895161

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-[1-(oxolane-3-carbonyl)azetidin-3-yl]pyridazin-3-one?
The IUPAC name of 6-(4-chlorophenyl)-2-[1-(oxolane-3-carbonyl)azetidin-3-yl]pyridazin-3-one (CID 139028939) is 6-(4-chlorophenyl)-2-[1-(oxolane-3-carbonyl)azetidin-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-[1-(oxolane-3-carbonyl)azetidin-3-yl]pyridazin-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-[1-(oxolane-3-carbonyl)azetidin-3-yl]pyridazin-3-one is O=C(C1CCOC1)N1CC(n2nc(-c3ccc(Cl)cc3)ccc2=O)C1.
What is the InChIKey of 6-(4-chlorophenyl)-2-[1-(oxolane-3-carbonyl)azetidin-3-yl]pyridazin-3-one?
The InChIKey is CAMDFMLRKJROGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c19-14-3-1-12(2-4-14)16-5-6-17(23)22(20-16)15-9-21(10-15)18(24)13-7-8-25-11-13/h1-6,13,15H,7-11H2.
What are the key properties of 6-(4-chlorophenyl)-2-[1-(oxolane-3-carbonyl)azetidin-3-yl]pyridazin-3-one?
6-(4-chlorophenyl)-2-[1-(oxolane-3-carbonyl)azetidin-3-yl]pyridazin-3-one has a molecular weight of 359.81 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-[1-(oxolane-3-carbonyl)azetidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 139028939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).