2-[[1-(quinoline-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one

C18H16N4O2 — CID 126926685

IUPAC2-[[1-(quinoline-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESO=C(c1ccc2ccccc2n1)N1CC(Cn2ncccc2=O)C1
InChIInChI=1S/C18H16N4O2/c23-17-6-3-9-19-22(17)12-13-10-21(11-13)18(24)16-8-7-14-4-1-2-5-15(14)20-16/h1-9,13H,10-12H2
InChIKeyRDALJXKGGDYYKH-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.56
Rot. Bonds3

About 2-[[1-(quinoline-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one

2-[[1-(quinoline-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126926685) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[[1-(quinoline-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(quinoline-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126926685
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name2-[[1-(quinoline-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESO=C(c1ccc2ccccc2n1)N1CC(Cn2ncccc2=O)C1
InChIInChI=1S/C18H16N4O2/c23-17-6-3-9-19-22(17)12-13-10-21(11-13)18(24)16-8-7-14-4-1-2-5-15(14)20-16/h1-9,13H,10-12H2
InChIKeyRDALJXKGGDYYKH-UHFFFAOYSA-N
XLogP1.56
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 40744893
[(3R)-3-aminopiperidin-1-yl]-quinolin-2-ylmethanone
CID 102978482
2-(cyclopropylmethyl)pyridazin-3-one
CID 72682825
[3-(pyrimidin-2-ylamino)azetidin-1-yl]-quinolin-2-ylmethanone
CID 121187471
[4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63398231
1-(quinoline-2-carbonyl)piperidin-4-one
CID 2556285
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 110203319
6-cyclopropyl-3-[[1-(quinoline-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941517
[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-quinolin-2-ylmethanone
CID 126901159
[(7R)-7-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-quinolin-2-ylmethanone
CID 124819603
[(3R,4R)-3-(hydroxymethyl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 72864038

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(quinoline-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[1-(quinoline-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one (CID 126926685) is 2-[[1-(quinoline-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(quinoline-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[1-(quinoline-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one is O=C(c1ccc2ccccc2n1)N1CC(Cn2ncccc2=O)C1.
What is the InChIKey of 2-[[1-(quinoline-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is RDALJXKGGDYYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-17-6-3-9-19-22(17)12-13-10-21(11-13)18(24)16-8-7-14-4-1-2-5-15(14)20-16/h1-9,13H,10-12H2.
What are the key properties of 2-[[1-(quinoline-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one?
2-[[1-(quinoline-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 320.35 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(quinoline-2-carbonyl)azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126926685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).