2-(2-bromophenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one

C20H20BrN3O2 — CID 69160001

IUPAC2-(2-bromophenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one
SMILESCCN(C)c1cc(-c2cccc(OC)c2)nn(-c2ccccc2Br)c1=O
InChIInChI=1S/C20H20BrN3O2/c1-4-23(2)19-13-17(14-8-7-9-15(12-14)26-3)22-24(20(19)25)18-11-6-5-10-16(18)21/h5-13H,4H2,1-3H3
InChIKeyVWKSVIGDHTYJGK-UHFFFAOYSA-N
MW414.30 g/mol
LogP4.13
Rot. Bonds5

About 2-(2-bromophenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one

2-(2-bromophenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one (PubChem CID 69160001) has the molecular formula C20H20BrN3O2 and a molecular weight of 414.30 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one
PubChem CID69160001
Molecular FormulaC20H20BrN3O2
Molecular Weight414.30 g/mol
Exact Mass413.07
IUPAC Name2-(2-bromophenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one
SMILESCCN(C)c1cc(-c2cccc(OC)c2)nn(-c2ccccc2Br)c1=O
InChIInChI=1S/C20H20BrN3O2/c1-4-23(2)19-13-17(14-8-7-9-15(12-14)26-3)22-24(20(19)25)18-11-6-5-10-16(18)21/h5-13H,4H2,1-3H3
InChIKeyVWKSVIGDHTYJGK-UHFFFAOYSA-N
XLogP4.13
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-(2-bromophenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one (CID 69160001) is 2-(2-bromophenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-bromophenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-(2-bromophenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one is CCN(C)c1cc(-c2cccc(OC)c2)nn(-c2ccccc2Br)c1=O.
What is the InChIKey of 2-(2-bromophenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one?
The InChIKey is VWKSVIGDHTYJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O2/c1-4-23(2)19-13-17(14-8-7-9-15(12-14)26-3)22-24(20(19)25)18-11-6-5-10-16(18)21/h5-13H,4H2,1-3H3.
What are the key properties of 2-(2-bromophenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one?
2-(2-bromophenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one has a molecular weight of 414.30 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4-[ethyl(methyl)amino]-6-(3-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 69160001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).