4-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-2-phenylpyridazin-3-one

C18H16ClN3O3 — CID 133347329

IUPAC4-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(N2CCOC(c3ccco3)C2)cnn1-c1ccccc1
InChIInChI=1S/C18H16ClN3O3/c19-17-14(11-20-22(18(17)23)13-5-2-1-3-6-13)21-8-10-25-16(12-21)15-7-4-9-24-15/h1-7,9,11,16H,8,10,12H2
InChIKeyPJJTWEMOABNNJU-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.06
Rot. Bonds3

About 4-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-2-phenylpyridazin-3-one

4-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-2-phenylpyridazin-3-one (PubChem CID 133347329) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 4-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-2-phenylpyridazin-3-one
PubChem CID133347329
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name4-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(N2CCOC(c3ccco3)C2)cnn1-c1ccccc1
InChIInChI=1S/C18H16ClN3O3/c19-17-14(11-20-22(18(17)23)13-5-2-1-3-6-13)21-8-10-25-16(12-21)15-7-4-9-24-15/h1-7,9,11,16H,8,10,12H2
InChIKeyPJJTWEMOABNNJU-UHFFFAOYSA-N
XLogP3.06
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-phenylpyridazin-3-one
CID 36726677
4,5-dichloro-2-[3-chloro-4-[(2R)-2-phenylmorpholin-4-yl]phenyl]pyridazin-3-one
CID 95345237
4-chloro-5-[2-(2-methylphenyl)morpholin-4-yl]-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 133354112
4-chloro-2-phenyl-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one
CID 133306124
4-chloro-2-phenyl-5-(3-prop-2-enoxypyrrolidin-1-yl)pyridazin-3-one
CID 133465286
4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one
CID 133317828
5-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-chloro-2-phenylpyridazin-3-one
CID 9206668
4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one
CID 133271354
4-chloro-5-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenylpyridazin-3-one
CID 46529673
4-chloro-2-phenyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazin-3-one
CID 133314120
4-chloro-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-2-phenylpyridazin-3-one
CID 133453106
4-chloro-2-phenyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridazin-3-one
CID 133430779

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-2-phenylpyridazin-3-one (CID 133347329) is 4-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-2-phenylpyridazin-3-one is O=c1c(Cl)c(N2CCOC(c3ccco3)C2)cnn1-c1ccccc1.
What is the InChIKey of 4-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-2-phenylpyridazin-3-one?
The InChIKey is PJJTWEMOABNNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c19-17-14(11-20-22(18(17)23)13-5-2-1-3-6-13)21-8-10-25-16(12-21)15-7-4-9-24-15/h1-7,9,11,16H,8,10,12H2.
What are the key properties of 4-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-2-phenylpyridazin-3-one?
4-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-2-phenylpyridazin-3-one has a molecular weight of 357.80 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-(furan-2-yl)morpholin-4-yl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 133347329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).