2-[[3-(dimethylamino)phenyl]methyl]-5-(2-methoxyphenyl)-6-methyl-4-[2-(3-methylphenyl)ethyl]pyridazin-3-one

C30H33N3O2 — CID 143443212

IUPAC2-[[3-(dimethylamino)phenyl]methyl]-5-(2-methoxyphenyl)-6-methyl-4-[2-(3-methylphenyl)ethyl]pyridazin-3-one
SMILESCOc1ccccc1-c1c(C)nn(Cc2cccc(N(C)C)c2)c(=O)c1CCc1cccc(C)c1
InChIInChI=1S/C30H33N3O2/c1-21-10-8-11-23(18-21)16-17-27-29(26-14-6-7-15-28(26)35-5)22(2)31-33(30(27)34)20-24-12-9-13-25(19-24)32(3)4/h6-15,18-19H,16-17,20H2,1-5H3
InChIKeyLOBIDEKHMGYUFA-UHFFFAOYSA-N
MW467.61 g/mol
LogP5.44
Rot. Bonds8

About 2-[[3-(dimethylamino)phenyl]methyl]-5-(2-methoxyphenyl)-6-methyl-4-[2-(3-methylphenyl)ethyl]pyridazin-3-one

2-[[3-(dimethylamino)phenyl]methyl]-5-(2-methoxyphenyl)-6-methyl-4-[2-(3-methylphenyl)ethyl]pyridazin-3-one (PubChem CID 143443212) has the molecular formula C30H33N3O2 and a molecular weight of 467.61 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)phenyl]methyl]-5-(2-methoxyphenyl)-6-methyl-4-[2-(3-methylphenyl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[3-(dimethylamino)phenyl]methyl]-5-(2-methoxyphenyl)-6-methyl-4-[2-(3-methylphenyl)ethyl]pyridazin-3-one
PubChem CID143443212
Molecular FormulaC30H33N3O2
Molecular Weight467.61 g/mol
Exact Mass467.26
IUPAC Name2-[[3-(dimethylamino)phenyl]methyl]-5-(2-methoxyphenyl)-6-methyl-4-[2-(3-methylphenyl)ethyl]pyridazin-3-one
SMILESCOc1ccccc1-c1c(C)nn(Cc2cccc(N(C)C)c2)c(=O)c1CCc1cccc(C)c1
InChIInChI=1S/C30H33N3O2/c1-21-10-8-11-23(18-21)16-17-27-29(26-14-6-7-15-28(26)35-5)22(2)31-33(30(27)34)20-24-12-9-13-25(19-24)32(3)4/h6-15,18-19H,16-17,20H2,1-5H3
InChIKeyLOBIDEKHMGYUFA-UHFFFAOYSA-N
XLogP5.44
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Phenyl-3-methyl-4-(2-methoxyphenylmethylene)-5-pyrazolone
CID 5377598
N-[3-[1-[3-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 57399487
4-[3-(2-Methoxy-phenyl)-1-p-tolyl-allylidene]-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 5725578
2-[5-[(3-methoxyphenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 44233645
2-(4-fluorophenyl)-6-[(E)-2-(2-methoxyphenyl)ethenyl]-4,5-dihydropyridazin-3-one
CID 155517441
6-[(E)-2-(2-methoxyphenyl)ethenyl]-2-phenylpyridazin-3-one
CID 155531758
6-[(E)-2-(2-methoxyphenyl)ethenyl]-2-phenyl-4,5-dihydropyridazin-3-one
CID 155559976
6-[5-(Dimethylamino)-2-hydroxyphenyl]-2-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]pyridazin-3-one
CID 168291328
N-benzyl-2-(2-methoxyphenyl)-N-(3-methylphenyl)acetamide
CID 24818359
N-{3-[Ethyl(3-methylphenyl)amino]propyl}-2-[3-(4-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]acetamide
CID 16034267
4-[(4-methoxyphenyl)methyl]-2,5-diphenyl-4H-pyrazol-3-one
CID 164612679
4-[(4-Methoxyphenyl)methyl]-2-phenyl-phthalazin-1-one
CID 15959127

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)phenyl]methyl]-5-(2-methoxyphenyl)-6-methyl-4-[2-(3-methylphenyl)ethyl]pyridazin-3-one?
The IUPAC name of 2-[[3-(dimethylamino)phenyl]methyl]-5-(2-methoxyphenyl)-6-methyl-4-[2-(3-methylphenyl)ethyl]pyridazin-3-one (CID 143443212) is 2-[[3-(dimethylamino)phenyl]methyl]-5-(2-methoxyphenyl)-6-methyl-4-[2-(3-methylphenyl)ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[[3-(dimethylamino)phenyl]methyl]-5-(2-methoxyphenyl)-6-methyl-4-[2-(3-methylphenyl)ethyl]pyridazin-3-one?
The canonical SMILES for 2-[[3-(dimethylamino)phenyl]methyl]-5-(2-methoxyphenyl)-6-methyl-4-[2-(3-methylphenyl)ethyl]pyridazin-3-one is COc1ccccc1-c1c(C)nn(Cc2cccc(N(C)C)c2)c(=O)c1CCc1cccc(C)c1.
What is the InChIKey of 2-[[3-(dimethylamino)phenyl]methyl]-5-(2-methoxyphenyl)-6-methyl-4-[2-(3-methylphenyl)ethyl]pyridazin-3-one?
The InChIKey is LOBIDEKHMGYUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O2/c1-21-10-8-11-23(18-21)16-17-27-29(26-14-6-7-15-28(26)35-5)22(2)31-33(30(27)34)20-24-12-9-13-25(19-24)32(3)4/h6-15,18-19H,16-17,20H2,1-5H3.
What are the key properties of 2-[[3-(dimethylamino)phenyl]methyl]-5-(2-methoxyphenyl)-6-methyl-4-[2-(3-methylphenyl)ethyl]pyridazin-3-one?
2-[[3-(dimethylamino)phenyl]methyl]-5-(2-methoxyphenyl)-6-methyl-4-[2-(3-methylphenyl)ethyl]pyridazin-3-one has a molecular weight of 467.61 g/mol, XLogP of 5.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)phenyl]methyl]-5-(2-methoxyphenyl)-6-methyl-4-[2-(3-methylphenyl)ethyl]pyridazin-3-one is sourced from PubChem (CID 143443212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).