3-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridazin-6-one

C15H14ClN3O3 — CID 87042007

IUPAC3-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H14ClN3O3/c16-11-3-1-10(2-4-11)13-9-19(7-8-22-13)15(21)12-5-6-14(20)18-17-12/h1-6,13H,7-9H2,(H,18,20)
InChIKeySZTSORJNTUQOJY-UHFFFAOYSA-N
MW319.75 g/mol
LogP1.64
Rot. Bonds2

About 3-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridazin-6-one

3-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridazin-6-one (PubChem CID 87042007) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridazin-6-one
PubChem CID87042007
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Name3-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H14ClN3O3/c16-11-3-1-10(2-4-11)13-9-19(7-8-22-13)15(21)12-5-6-14(20)18-17-12/h1-6,13H,7-9H2,(H,18,20)
InChIKeySZTSORJNTUQOJY-UHFFFAOYSA-N
XLogP1.64
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(3-Chlorophenyl)-5-methylmorpholine-4-carbonyl]-2-methylpyridazin-3-one
CID 121520098
3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridazin-6-one
CID 38372172
3-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridazin-6-one
CID 38372174
3-[2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridazin-6-one
CID 45808438
3-[2-(2-fluorophenyl)morpholine-4-carbonyl]-1H-pyridazin-6-one
CID 110663764
5-chloro-4-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-1H-pyridazin-6-one
CID 133292436
3-[(3S)-3-[(2-fluorophenyl)methoxy]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 137864176
3-[2-(4-fluoro-3-methylphenyl)morpholine-4-carbonyl]-5-methyl-1H-pyridazin-6-one
CID 166268496
2-[[2-(4-Chlorophenyl)morpholin-4-yl]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
CID 47072121
3-[1-[2-(4-chlorophenyl)-2-methoxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-4,5-dihydro-1H-pyridazin-6-one
CID 23371567
N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 39258574
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 39258579

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridazin-6-one (CID 87042007) is 3-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridazin-6-one is O=C(c1ccc(=O)[nH]n1)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridazin-6-one?
The InChIKey is SZTSORJNTUQOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c16-11-3-1-10(2-4-11)13-9-19(7-8-22-13)15(21)12-5-6-14(20)18-17-12/h1-6,13H,7-9H2,(H,18,20).
What are the key properties of 3-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridazin-6-one?
3-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridazin-6-one has a molecular weight of 319.75 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 87042007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).