6-methoxy-1-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyridazin-4-one

C17H19N3O4 — CID 53157733

IUPAC6-methoxy-1-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyridazin-4-one
SMILESCOc1cc(=O)c(C(=O)N2CCOCC2)nn1-c1ccc(C)cc1
InChIInChI=1S/C17H19N3O4/c1-12-3-5-13(6-4-12)20-15(23-2)11-14(21)16(18-20)17(22)19-7-9-24-10-8-19/h3-6,11H,7-10H2,1-2H3
InChIKeyYEUGYTOKDAERIL-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.02
Rot. Bonds3

About 6-methoxy-1-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyridazin-4-one

6-methoxy-1-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyridazin-4-one (PubChem CID 53157733) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 6-methoxy-1-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyridazin-4-one.

Molecular Properties

Compound Name6-methoxy-1-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyridazin-4-one
PubChem CID53157733
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name6-methoxy-1-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyridazin-4-one
SMILESCOc1cc(=O)c(C(=O)N2CCOCC2)nn1-c1ccc(C)cc1
InChIInChI=1S/C17H19N3O4/c1-12-3-5-13(6-4-12)20-15(23-2)11-14(21)16(18-20)17(22)19-7-9-24-10-8-19/h3-6,11H,7-10H2,1-2H3
InChIKeyYEUGYTOKDAERIL-UHFFFAOYSA-N
XLogP1.02
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(azepane-1-carbonyl)-6-methoxy-1-(4-methylphenyl)pyridazin-4-one
CID 53157732
2-(3,4-dimethoxyphenyl)-4-[(4-methylphenyl)methyl]-6-(morpholine-4-carbonyl)-1,2,4-triazine-3,5-dione
CID 42836241
6-ethoxy-1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazine-1-carbonyl]pyridazin-4-one
CID 53157748
N-benzyl-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 53157495
2-(3,5-dimethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one
CID 4249553
4-[(3-chlorophenyl)methyl]-2-(4-methoxyphenyl)-6-(morpholine-4-carbonyl)-1,2,4-triazine-3,5-dione
CID 46005216
1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxylic acid
CID 50928021
[1-(4-methylphenyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 66579079
3-hydroxy-5-[(4-methylphenyl)methyl]-2-(morpholine-4-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 143156203
6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-2-(4-methylphenyl)pyridazin-3-one
CID 8555727
1-(3,4-difluorophenyl)-6-ethoxy-3-(pyrrolidine-1-carbonyl)pyridazin-4-one
CID 53157766
1-(3,4-difluorophenyl)-6-ethoxy-3-(piperidine-1-carbonyl)pyridazin-4-one
CID 53157767

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyridazin-4-one?
The IUPAC name of 6-methoxy-1-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyridazin-4-one (CID 53157733) is 6-methoxy-1-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyridazin-4-one.
What is the SMILES notation for 6-methoxy-1-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyridazin-4-one?
The canonical SMILES for 6-methoxy-1-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyridazin-4-one is COc1cc(=O)c(C(=O)N2CCOCC2)nn1-c1ccc(C)cc1.
What is the InChIKey of 6-methoxy-1-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyridazin-4-one?
The InChIKey is YEUGYTOKDAERIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-12-3-5-13(6-4-12)20-15(23-2)11-14(21)16(18-20)17(22)19-7-9-24-10-8-19/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 6-methoxy-1-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyridazin-4-one?
6-methoxy-1-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyridazin-4-one has a molecular weight of 329.36 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyridazin-4-one is sourced from PubChem (CID 53157733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).