6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydropyridazin-3-one

C16H18ClN3O3 — CID 122176499

IUPAC6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydropyridazin-3-one
SMILESO=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)N1CCOCC1
InChIInChI=1S/C16H18ClN3O3/c17-13-3-1-12(2-4-13)14-5-6-15(21)20(18-14)11-16(22)19-7-9-23-10-8-19/h1-4H,5-11H2
InChIKeyBLOROAPIIXITCO-UHFFFAOYSA-N
MW335.79 g/mol
LogP1.53
Rot. Bonds3

About 6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydropyridazin-3-one

6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydropyridazin-3-one (PubChem CID 122176499) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydropyridazin-3-one
PubChem CID122176499
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydropyridazin-3-one
SMILESO=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)N1CCOCC1
InChIInChI=1S/C16H18ClN3O3/c17-13-3-1-12(2-4-13)14-5-6-15(21)20(18-14)11-16(22)19-7-9-23-10-8-19/h1-4H,5-11H2
InChIKeyBLOROAPIIXITCO-UHFFFAOYSA-N
XLogP1.53
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl [3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetate
CID 6624390
2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-(3-methylbutyl)acetamide
CID 16034816
2-[3-(4-Chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 16034248
N-{3-[butyl(methyl)amino]propyl}-2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 20968222
3(2H)-Pyridazinone, 4,5-dihydro-4-methyl-2-(2-morpholinoethyl)-6-phenyl-, hydrochloride
CID 208811
6-(4-chlorophenyl)-2-(3-morpholin-4-yl-3-oxopropyl)pyridazin-3(2H)-one
CID 3238759
2-[3-(4-Chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-[2-(morpholin-4-YL)ethyl]acetamide
CID 4422325
2-[3-(4-chlorophenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]-N-[2-(diisobutylamino)ethyl]acetamide
CID 20968208
6-(p-Chlorophenyl)-2-(2'-hydroxybutyl)-4,5-dihydro-3-(2H)-pyridazinone
CID 606707
3,4-Diazabicyclo(4.1.0)hept-2-en-5-one, 4-(2-morpholinoethyl)-2-phenyl-
CID 30797
3(2H)-Pyridazinone, 6-(o-chlorophenyl)-4-methyl-2-(2-morpholinoethyl)-, hydrochloride
CID 207160
3(2H)-Pyridazinone, 6-(p-chlorophenyl)-4-methyl-2-(2-morpholinoethyl)-, hydrochloride
CID 207185

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydropyridazin-3-one (CID 122176499) is 6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydropyridazin-3-one is O=C(CN1N=C(c2ccc(Cl)cc2)CCC1=O)N1CCOCC1.
What is the InChIKey of 6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydropyridazin-3-one?
The InChIKey is BLOROAPIIXITCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c17-13-3-1-12(2-4-13)14-5-6-15(21)20(18-14)11-16(22)19-7-9-23-10-8-19/h1-4H,5-11H2.
What are the key properties of 6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydropyridazin-3-one?
6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydropyridazin-3-one has a molecular weight of 335.79 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 122176499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).