2-(4-chlorophenoxy)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one

C19H22ClN3O4 — CID 90639127

IUPAC2-(4-chlorophenoxy)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCOc1ccc(OC2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)C2)nn1
InChIInChI=1S/C19H22ClN3O4/c1-19(2,27-14-6-4-13(20)5-7-14)18(24)23-11-10-15(12-23)26-17-9-8-16(25-3)21-22-17/h4-9,15H,10-12H2,1-3H3
InChIKeyAABKPKYTWOYWGD-UHFFFAOYSA-N
MW391.86 g/mol
LogP2.98
Rot. Bonds6

About 2-(4-chlorophenoxy)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one

2-(4-chlorophenoxy)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 90639127) has the molecular formula C19H22ClN3O4 and a molecular weight of 391.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID90639127
Molecular FormulaC19H22ClN3O4
Molecular Weight391.86 g/mol
Exact Mass391.13
IUPAC Name2-(4-chlorophenoxy)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCOc1ccc(OC2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)C2)nn1
InChIInChI=1S/C19H22ClN3O4/c1-19(2,27-14-6-4-13(20)5-7-14)18(24)23-11-10-15(12-23)26-17-9-8-16(25-3)21-22-17/h4-9,15H,10-12H2,1-3H3
InChIKeyAABKPKYTWOYWGD-UHFFFAOYSA-N
XLogP2.98
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-chlorophenoxy)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 90639066
2-(4-chlorophenoxy)-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-methylpropan-1-one
CID 121161323
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidine-3-carboxamide
CID 56813709
2-(4-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 114680050
2-(4-chlorophenoxy)-2-methyl-1-[3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 121178554
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide
CID 754662
2-(4-chlorophenoxy)-2-methyl-1-(3-pyridin-2-yloxyazetidin-1-yl)propan-1-one
CID 122247157
(2-chlorophenyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639091
3-chloro-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90639063
methyl 1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-3-carboxylate
CID 108754829
2-(4-chlorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one
CID 25474118
1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100630799

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-(4-chlorophenoxy)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one (CID 90639127) is 2-(4-chlorophenoxy)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one is COc1ccc(OC2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)C2)nn1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is AABKPKYTWOYWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4/c1-19(2,27-14-6-4-13(20)5-7-14)18(24)23-11-10-15(12-23)26-17-9-8-16(25-3)21-22-17/h4-9,15H,10-12H2,1-3H3.
What are the key properties of 2-(4-chlorophenoxy)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one?
2-(4-chlorophenoxy)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 391.86 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 90639127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).