2-(4-chloroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one

C19H18ClN3O2 — CID 56680367

IUPAC2-(4-chloroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one
SMILESCc1cc(C)c(Oc2ccc(=O)n(Nc3ccc(Cl)cc3)n2)c(C)c1
InChIInChI=1S/C19H18ClN3O2/c1-12-10-13(2)19(14(3)11-12)25-17-8-9-18(24)23(22-17)21-16-6-4-15(20)5-7-16/h4-11,21H,1-3H3
InChIKeyRHBIAVWBUGPTAN-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.49
Rot. Bonds4

About 2-(4-chloroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one

2-(4-chloroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one (PubChem CID 56680367) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-(4-chloroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-chloroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one
PubChem CID56680367
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name2-(4-chloroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one
SMILESCc1cc(C)c(Oc2ccc(=O)n(Nc3ccc(Cl)cc3)n2)c(C)c1
InChIInChI=1S/C19H18ClN3O2/c1-12-10-13(2)19(14(3)11-12)25-17-8-9-18(24)23(22-17)21-16-6-4-15(20)5-7-16/h4-11,21H,1-3H3
InChIKeyRHBIAVWBUGPTAN-UHFFFAOYSA-N
XLogP4.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one?
The IUPAC name of 2-(4-chloroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one (CID 56680367) is 2-(4-chloroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one.
What is the SMILES notation for 2-(4-chloroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one?
The canonical SMILES for 2-(4-chloroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one is Cc1cc(C)c(Oc2ccc(=O)n(Nc3ccc(Cl)cc3)n2)c(C)c1.
What is the InChIKey of 2-(4-chloroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one?
The InChIKey is RHBIAVWBUGPTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12-10-13(2)19(14(3)11-12)25-17-8-9-18(24)23(22-17)21-16-6-4-15(20)5-7-16/h4-11,21H,1-3H3.
What are the key properties of 2-(4-chloroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one?
2-(4-chloroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one has a molecular weight of 355.83 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-6-(2,4,6-trimethylphenoxy)pyridazin-3-one is sourced from PubChem (CID 56680367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).