3-(4-fluorophenoxy)-1-methyl-8-morpholin-4-ylpyrido[2,3-d]pyridazin-2-one

C18H17FN4O3 — CID 58514583

IUPAC3-(4-fluorophenoxy)-1-methyl-8-morpholin-4-ylpyrido[2,3-d]pyridazin-2-one
SMILESCn1c(=O)c(Oc2ccc(F)cc2)cc2cnnc(N3CCOCC3)c21
InChIInChI=1S/C18H17FN4O3/c1-22-16-12(11-20-21-17(16)23-6-8-25-9-7-23)10-15(18(22)24)26-14-4-2-13(19)3-5-14/h2-5,10-11H,6-9H2,1H3
InChIKeyCMZPMSVNRPQLNZ-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.10
Rot. Bonds3

About 3-(4-fluorophenoxy)-1-methyl-8-morpholin-4-ylpyrido[2,3-d]pyridazin-2-one

3-(4-fluorophenoxy)-1-methyl-8-morpholin-4-ylpyrido[2,3-d]pyridazin-2-one (PubChem CID 58514583) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-1-methyl-8-morpholin-4-ylpyrido[2,3-d]pyridazin-2-one.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-1-methyl-8-morpholin-4-ylpyrido[2,3-d]pyridazin-2-one
PubChem CID58514583
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name3-(4-fluorophenoxy)-1-methyl-8-morpholin-4-ylpyrido[2,3-d]pyridazin-2-one
SMILESCn1c(=O)c(Oc2ccc(F)cc2)cc2cnnc(N3CCOCC3)c21
InChIInChI=1S/C18H17FN4O3/c1-22-16-12(11-20-21-17(16)23-6-8-25-9-7-23)10-15(18(22)24)26-14-4-2-13(19)3-5-14/h2-5,10-11H,6-9H2,1H3
InChIKeyCMZPMSVNRPQLNZ-UHFFFAOYSA-N
XLogP2.10
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-1-methyl-8-morpholin-4-ylpyrido[2,3-d]pyridazin-2-one?
The IUPAC name of 3-(4-fluorophenoxy)-1-methyl-8-morpholin-4-ylpyrido[2,3-d]pyridazin-2-one (CID 58514583) is 3-(4-fluorophenoxy)-1-methyl-8-morpholin-4-ylpyrido[2,3-d]pyridazin-2-one.
What is the SMILES notation for 3-(4-fluorophenoxy)-1-methyl-8-morpholin-4-ylpyrido[2,3-d]pyridazin-2-one?
The canonical SMILES for 3-(4-fluorophenoxy)-1-methyl-8-morpholin-4-ylpyrido[2,3-d]pyridazin-2-one is Cn1c(=O)c(Oc2ccc(F)cc2)cc2cnnc(N3CCOCC3)c21.
What is the InChIKey of 3-(4-fluorophenoxy)-1-methyl-8-morpholin-4-ylpyrido[2,3-d]pyridazin-2-one?
The InChIKey is CMZPMSVNRPQLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-22-16-12(11-20-21-17(16)23-6-8-25-9-7-23)10-15(18(22)24)26-14-4-2-13(19)3-5-14/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 3-(4-fluorophenoxy)-1-methyl-8-morpholin-4-ylpyrido[2,3-d]pyridazin-2-one?
3-(4-fluorophenoxy)-1-methyl-8-morpholin-4-ylpyrido[2,3-d]pyridazin-2-one has a molecular weight of 356.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-1-methyl-8-morpholin-4-ylpyrido[2,3-d]pyridazin-2-one is sourced from PubChem (CID 58514583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).