2-[[1-(6-methoxyquinolin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one

C18H18N4O2 — CID 126926740

IUPAC2-[[1-(6-methoxyquinolin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCOc1ccc2nccc(N3CC(Cn4ncccc4=O)C3)c2c1
InChIInChI=1S/C18H18N4O2/c1-24-14-4-5-16-15(9-14)17(6-8-19-16)21-10-13(11-21)12-22-18(23)3-2-7-20-22/h2-9,13H,10-12H2,1H3
InChIKeyNFSNXKVMYBSYNL-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.94
Rot. Bonds4

About 2-[[1-(6-methoxyquinolin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one

2-[[1-(6-methoxyquinolin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126926740) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[[1-(6-methoxyquinolin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(6-methoxyquinolin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126926740
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-[[1-(6-methoxyquinolin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCOc1ccc2nccc(N3CC(Cn4ncccc4=O)C3)c2c1
InChIInChI=1S/C18H18N4O2/c1-24-14-4-5-16-15(9-14)17(6-8-19-16)21-10-13(11-21)12-22-18(23)3-2-7-20-22/h2-9,13H,10-12H2,1H3
InChIKeyNFSNXKVMYBSYNL-UHFFFAOYSA-N
XLogP1.94
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-6-methoxyquinoline
CID 154575981
2-[[1-(6-methoxyquinolin-4-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863495
(3S)-1-(6-methoxyquinolin-4-yl)-N-methylpyrrolidin-3-amine
CID 66954288
1-[1-[1-(6-methoxyquinolin-4-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945708
6-(3,5-dimethylpyrazol-1-yl)-2-[(1-quinolin-4-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126930085
7-methoxy-4-[3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]quinoline
CID 163274805
1-(6-propan-2-yloxyquinolin-4-yl)azetidine-3-carboxylic acid
CID 122064350
1-(6-methoxyquinolin-4-yl)-N-(4-pyrrol-1-ylphenyl)piperidine-3-carboxamide
CID 91952291
6-[4-(6-methoxyquinolin-4-yl)piperazin-1-yl]quinazoline
CID 126894256
2-[1-(6,7-dimethoxyquinolin-4-yl)azetidin-3-yl]ethanamine
CID 163275209
1-(7-methoxyisoquinolin-1-yl)azetidin-3-amine
CID 106540757
6-methoxy-4-(4-methylpiperazin-2-yl)quinoline
CID 82665396

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(6-methoxyquinolin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[1-(6-methoxyquinolin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one (CID 126926740) is 2-[[1-(6-methoxyquinolin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(6-methoxyquinolin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[1-(6-methoxyquinolin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one is COc1ccc2nccc(N3CC(Cn4ncccc4=O)C3)c2c1.
What is the InChIKey of 2-[[1-(6-methoxyquinolin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is NFSNXKVMYBSYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-14-4-5-16-15(9-14)17(6-8-19-16)21-10-13(11-21)12-22-18(23)3-2-7-20-22/h2-9,13H,10-12H2,1H3.
What are the key properties of 2-[[1-(6-methoxyquinolin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one?
2-[[1-(6-methoxyquinolin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 322.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(6-methoxyquinolin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126926740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).