3-acetyl-1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxypyridazin-4-one

C17H17F2N3O4 — CID 58072486

IUPAC3-acetyl-1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxypyridazin-4-one
SMILESCOc1cn(-c2ccc(N3CCOCC3)c(F)c2F)nc(C(C)=O)c1=O
InChIInChI=1S/C17H17F2N3O4/c1-10(23)16-17(24)13(25-2)9-22(20-16)12-4-3-11(14(18)15(12)19)21-5-7-26-8-6-21/h3-4,9H,5-8H2,1-2H3
InChIKeyASPNUOHMRIBBKD-UHFFFAOYSA-N
MW365.34 g/mol
LogP1.56
Rot. Bonds4

About 3-acetyl-1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxypyridazin-4-one

3-acetyl-1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxypyridazin-4-one (PubChem CID 58072486) has the molecular formula C17H17F2N3O4 and a molecular weight of 365.34 g/mol. Its IUPAC name is 3-acetyl-1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxypyridazin-4-one.

Molecular Properties

Compound Name3-acetyl-1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxypyridazin-4-one
PubChem CID58072486
Molecular FormulaC17H17F2N3O4
Molecular Weight365.34 g/mol
Exact Mass365.12
IUPAC Name3-acetyl-1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxypyridazin-4-one
SMILESCOc1cn(-c2ccc(N3CCOCC3)c(F)c2F)nc(C(C)=O)c1=O
InChIInChI=1S/C17H17F2N3O4/c1-10(23)16-17(24)13(25-2)9-22(20-16)12-4-3-11(14(18)15(12)19)21-5-7-26-8-6-21/h3-4,9H,5-8H2,1-2H3
InChIKeyASPNUOHMRIBBKD-UHFFFAOYSA-N
XLogP1.56
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxypyridazin-4-one?
The IUPAC name of 3-acetyl-1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxypyridazin-4-one (CID 58072486) is 3-acetyl-1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxypyridazin-4-one.
What is the SMILES notation for 3-acetyl-1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxypyridazin-4-one?
The canonical SMILES for 3-acetyl-1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxypyridazin-4-one is COc1cn(-c2ccc(N3CCOCC3)c(F)c2F)nc(C(C)=O)c1=O.
What is the InChIKey of 3-acetyl-1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxypyridazin-4-one?
The InChIKey is ASPNUOHMRIBBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O4/c1-10(23)16-17(24)13(25-2)9-22(20-16)12-4-3-11(14(18)15(12)19)21-5-7-26-8-6-21/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 3-acetyl-1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxypyridazin-4-one?
3-acetyl-1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxypyridazin-4-one has a molecular weight of 365.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxypyridazin-4-one is sourced from PubChem (CID 58072486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).