[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone

C14H20N4O4 — CID 91627534

IUPAC[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(OC2CCN(C(=O)N3CCOCC3)C2)nn1
InChIInChI=1S/C14H20N4O4/c1-20-12-2-3-13(16-15-12)22-11-4-5-18(10-11)14(19)17-6-8-21-9-7-17/h2-3,11H,4-10H2,1H3
InChIKeySMOXMXXZLOSKRJ-UHFFFAOYSA-N
MW308.34 g/mol
LogP0.39
Rot. Bonds3

About [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone

[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 91627534) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
PubChem CID91627534
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(OC2CCN(C(=O)N3CCOCC3)C2)nn1
InChIInChI=1S/C14H20N4O4/c1-20-12-2-3-13(16-15-12)22-11-4-5-18(10-11)14(19)17-6-8-21-9-7-17/h2-3,11H,4-10H2,1H3
InChIKeySMOXMXXZLOSKRJ-UHFFFAOYSA-N
XLogP0.39
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 100637237
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 91627533
[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-morpholin-4-ylmethanone
CID 100643748
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 91627512
1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100630799
3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90639063
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 91627450
[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 90638060
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 91627626
1,3-benzodioxol-5-yl-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 91627465
3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 90639066
1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-diphenylethanone
CID 90639146

Frequently Asked Questions

What is the IUPAC name of [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone (CID 91627534) is [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone is COc1ccc(OC2CCN(C(=O)N3CCOCC3)C2)nn1.
What is the InChIKey of [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is SMOXMXXZLOSKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-20-12-2-3-13(16-15-12)22-11-4-5-18(10-11)14(19)17-6-8-21-9-7-17/h2-3,11H,4-10H2,1H3.
What are the key properties of [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone?
[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 308.34 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 91627534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).