6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-2-(4-methylphenyl)pyridazin-3-one

C19H23N3O4 — CID 8555727

IUPAC6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-2-(4-methylphenyl)pyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C19H23N3O4/c1-12-5-7-15(8-6-12)22-17(23)9-16(25-4)18(20-22)19(24)21-10-13(2)26-14(3)11-21/h5-9,13-14H,10-11H2,1-4H3/t13-,14-/m0/s1
InChIKeyDUTYMTYKZCEWFI-KBPBESRZSA-N
MW357.41 g/mol
LogP1.80
Rot. Bonds3

About 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-2-(4-methylphenyl)pyridazin-3-one

6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-2-(4-methylphenyl)pyridazin-3-one (PubChem CID 8555727) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-2-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-2-(4-methylphenyl)pyridazin-3-one
PubChem CID8555727
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-2-(4-methylphenyl)pyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)N1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C19H23N3O4/c1-12-5-7-15(8-6-12)22-17(23)9-16(25-4)18(20-22)19(24)21-10-13(2)26-14(3)11-21/h5-9,13-14H,10-11H2,1-4H3/t13-,14-/m0/s1
InChIKeyDUTYMTYKZCEWFI-KBPBESRZSA-N
XLogP1.80
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-2-(4-methylphenyl)pyridazin-3-one with MolForge

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Related Compounds

6-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one
CID 8553180
ethyl (3R)-1-[4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carbonyl]piperidine-3-carboxylate
CID 8555696
6-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methoxy-2-(4-methylphenyl)pyridazin-3-one
CID 8555810
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]methanone
CID 7328385
(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone
CID 42755284
N-(4-fluorophenyl)-4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8555849
ethyl 1-(4-methoxy-6-oxo-1-phenylpyridazine-3-carbonyl)piperidine-4-carboxylate
CID 8553233
4-methoxy-1-(4-methylphenyl)-6-oxo-N-[(1S)-1-phenylethyl]pyridazine-3-carboxamide
CID 8556306
5-methoxy-6-[(2S)-2-methylpiperidine-1-carbonyl]-2-phenylpyridazin-3-one
CID 8553150
(2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 39910406
N-(3-acetylphenyl)-4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8555936
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8557166

Frequently Asked Questions

What is the IUPAC name of 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-2-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-2-(4-methylphenyl)pyridazin-3-one (CID 8555727) is 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-2-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-2-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-2-(4-methylphenyl)pyridazin-3-one is COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)N1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-2-(4-methylphenyl)pyridazin-3-one?
The InChIKey is DUTYMTYKZCEWFI-KBPBESRZSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12-5-7-15(8-6-12)22-17(23)9-16(25-4)18(20-22)19(24)21-10-13(2)26-14(3)11-21/h5-9,13-14H,10-11H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-2-(4-methylphenyl)pyridazin-3-one?
6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-2-(4-methylphenyl)pyridazin-3-one has a molecular weight of 357.41 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-5-methoxy-2-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 8555727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).