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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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).