6-phenyl-2-[1-(quinoxaline-2-carbonyl)azetidin-3-yl]pyridazin-3-one

C22H17N5O2 — CID 139023744

IUPAC6-phenyl-2-[1-(quinoxaline-2-carbonyl)azetidin-3-yl]pyridazin-3-one
SMILESO=C(c1cnc2ccccc2n1)N1CC(n2nc(-c3ccccc3)ccc2=O)C1
InChIInChI=1S/C22H17N5O2/c28-21-11-10-17(15-6-2-1-3-7-15)25-27(21)16-13-26(14-16)22(29)20-12-23-18-8-4-5-9-19(18)24-20/h1-12,16H,13-14H2
InChIKeyZIHPGGNSMFZZHP-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.55
Rot. Bonds3

About 6-phenyl-2-[1-(quinoxaline-2-carbonyl)azetidin-3-yl]pyridazin-3-one

6-phenyl-2-[1-(quinoxaline-2-carbonyl)azetidin-3-yl]pyridazin-3-one (PubChem CID 139023744) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 6-phenyl-2-[1-(quinoxaline-2-carbonyl)azetidin-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-phenyl-2-[1-(quinoxaline-2-carbonyl)azetidin-3-yl]pyridazin-3-one
PubChem CID139023744
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name6-phenyl-2-[1-(quinoxaline-2-carbonyl)azetidin-3-yl]pyridazin-3-one
SMILESO=C(c1cnc2ccccc2n1)N1CC(n2nc(-c3ccccc3)ccc2=O)C1
InChIInChI=1S/C22H17N5O2/c28-21-11-10-17(15-6-2-1-3-7-15)25-27(21)16-13-26(14-16)22(29)20-12-23-18-8-4-5-9-19(18)24-20/h1-12,16H,13-14H2
InChIKeyZIHPGGNSMFZZHP-UHFFFAOYSA-N
XLogP2.55
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide
CID 126936220
2-(1-butanoylazetidin-3-yl)-6-phenylpyridazin-3-one
CID 92586204
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-quinoxalin-2-ylmethanone
CID 39952041
[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 94173190
(3S,4S)-1-(quinoxaline-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;dihydrochloride
CID 120949116
[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95346427
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
6-(4-chlorophenyl)-2-[1-(1H-pyrazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one
CID 139027620
6-phenyl-2-piperidin-4-ylpyridazin-3-one
CID 82105182
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide
CID 126934572
(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629638
6-pyridin-3-yl-3-[[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942922

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-[1-(quinoxaline-2-carbonyl)azetidin-3-yl]pyridazin-3-one?
The IUPAC name of 6-phenyl-2-[1-(quinoxaline-2-carbonyl)azetidin-3-yl]pyridazin-3-one (CID 139023744) is 6-phenyl-2-[1-(quinoxaline-2-carbonyl)azetidin-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-phenyl-2-[1-(quinoxaline-2-carbonyl)azetidin-3-yl]pyridazin-3-one?
The canonical SMILES for 6-phenyl-2-[1-(quinoxaline-2-carbonyl)azetidin-3-yl]pyridazin-3-one is O=C(c1cnc2ccccc2n1)N1CC(n2nc(-c3ccccc3)ccc2=O)C1.
What is the InChIKey of 6-phenyl-2-[1-(quinoxaline-2-carbonyl)azetidin-3-yl]pyridazin-3-one?
The InChIKey is ZIHPGGNSMFZZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c28-21-11-10-17(15-6-2-1-3-7-15)25-27(21)16-13-26(14-16)22(29)20-12-23-18-8-4-5-9-19(18)24-20/h1-12,16H,13-14H2.
What are the key properties of 6-phenyl-2-[1-(quinoxaline-2-carbonyl)azetidin-3-yl]pyridazin-3-one?
6-phenyl-2-[1-(quinoxaline-2-carbonyl)azetidin-3-yl]pyridazin-3-one has a molecular weight of 383.41 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-[1-(quinoxaline-2-carbonyl)azetidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 139023744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).