methoxymethane;4-[5-methyl-1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]benzaldehyde

C22H24N2O3 — CID 145260273

IUPACmethoxymethane;4-[5-methyl-1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]benzaldehyde
SMILESCOC.Cc1ccc(Cn2nc(-c3ccc(C=O)cc3)cc(C)c2=O)cc1
InChIInChI=1S/C20H18N2O2.C2H6O/c1-14-3-5-16(6-4-14)12-22-20(24)15(2)11-19(21-22)18-9-7-17(13-23)8-10-18;1-3-2/h3-11,13H,12H2,1-2H3;1-2H3
InChIKeyGQFSCDDSUGZLTM-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.65
Rot. Bonds4

About methoxymethane;4-[5-methyl-1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]benzaldehyde

methoxymethane;4-[5-methyl-1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]benzaldehyde (PubChem CID 145260273) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is methoxymethane;4-[5-methyl-1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]benzaldehyde.

Molecular Properties

Compound Namemethoxymethane;4-[5-methyl-1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]benzaldehyde
PubChem CID145260273
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Namemethoxymethane;4-[5-methyl-1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]benzaldehyde
SMILESCOC.Cc1ccc(Cn2nc(-c3ccc(C=O)cc3)cc(C)c2=O)cc1
InChIInChI=1S/C20H18N2O2.C2H6O/c1-14-3-5-16(6-4-14)12-22-20(24)15(2)11-19(21-22)18-9-7-17(13-23)8-10-18;1-3-2/h3-11,13H,12H2,1-2H3;1-2H3
InChIKeyGQFSCDDSUGZLTM-UHFFFAOYSA-N
XLogP3.65
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-N-methylbenzamide
CID 145260272
3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid
CID 91871540
4-[(3,5-dimethylpyrazol-1-yl)methyl]benzaldehyde
CID 166920797
2-benzyl-6-methoxy-4-methylpyridazin-3-one
CID 91168973
6-(2-methoxyphenyl)-2-[(4-methylphenyl)methyl]pyridazin-3-one
CID 7662773
4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]benzaldehyde
CID 156501566
2-ethyl-4-methyl-6-pyridin-4-ylpyridazin-3-one
CID 20533850
6-(4-chlorophenyl)-2-(2-methoxyethyl)-3-oxopyridazine-4-carbaldehyde
CID 82447606
3,5-bis(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]pyrazole
CID 17025672
4-(1-aminoethyl)-2-(2-methoxyethyl)-6-(4-methylphenyl)pyridazin-3-one
CID 82447529
ethane;4-methylbenzaldehyde;2-(4-methylphenyl)acetaldehyde
CID 142611511
6-(6-amino-2-fluoro-3-pyridinyl)-2-[(4-chlorophenyl)methyl]-4-methylpyridazin-3-one
CID 145260289

Frequently Asked Questions

What is the IUPAC name of methoxymethane;4-[5-methyl-1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]benzaldehyde?
The IUPAC name of methoxymethane;4-[5-methyl-1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]benzaldehyde (CID 145260273) is methoxymethane;4-[5-methyl-1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]benzaldehyde.
What is the SMILES notation for methoxymethane;4-[5-methyl-1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]benzaldehyde?
The canonical SMILES for methoxymethane;4-[5-methyl-1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]benzaldehyde is COC.Cc1ccc(Cn2nc(-c3ccc(C=O)cc3)cc(C)c2=O)cc1.
What is the InChIKey of methoxymethane;4-[5-methyl-1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]benzaldehyde?
The InChIKey is GQFSCDDSUGZLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2.C2H6O/c1-14-3-5-16(6-4-14)12-22-20(24)15(2)11-19(21-22)18-9-7-17(13-23)8-10-18;1-3-2/h3-11,13H,12H2,1-2H3;1-2H3.
What are the key properties of methoxymethane;4-[5-methyl-1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]benzaldehyde?
methoxymethane;4-[5-methyl-1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]benzaldehyde has a molecular weight of 364.45 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;4-[5-methyl-1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]benzaldehyde is sourced from PubChem (CID 145260273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).