5-amino-2-(4-chlorophenyl)-4-[4-(2-hydroxyphenyl)phenoxy]pyridazin-3-one

C22H16ClN3O3 — CID 71103286

IUPAC5-amino-2-(4-chlorophenyl)-4-[4-(2-hydroxyphenyl)phenoxy]pyridazin-3-one
SMILESNc1cnn(-c2ccc(Cl)cc2)c(=O)c1Oc1ccc(-c2ccccc2O)cc1
InChIInChI=1S/C22H16ClN3O3/c23-15-7-9-16(10-8-15)26-22(28)21(19(24)13-25-26)29-17-11-5-14(6-12-17)18-3-1-2-4-20(18)27/h1-13,27H,24H2
InChIKeyDZWUQRSFJXSDTQ-UHFFFAOYSA-N
MW405.84 g/mol
LogP4.63
Rot. Bonds4

About 5-amino-2-(4-chlorophenyl)-4-[4-(2-hydroxyphenyl)phenoxy]pyridazin-3-one

5-amino-2-(4-chlorophenyl)-4-[4-(2-hydroxyphenyl)phenoxy]pyridazin-3-one (PubChem CID 71103286) has the molecular formula C22H16ClN3O3 and a molecular weight of 405.84 g/mol. Its IUPAC name is 5-amino-2-(4-chlorophenyl)-4-[4-(2-hydroxyphenyl)phenoxy]pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-(4-chlorophenyl)-4-[4-(2-hydroxyphenyl)phenoxy]pyridazin-3-one
PubChem CID71103286
Molecular FormulaC22H16ClN3O3
Molecular Weight405.84 g/mol
Exact Mass405.09
IUPAC Name5-amino-2-(4-chlorophenyl)-4-[4-(2-hydroxyphenyl)phenoxy]pyridazin-3-one
SMILESNc1cnn(-c2ccc(Cl)cc2)c(=O)c1Oc1ccc(-c2ccccc2O)cc1
InChIInChI=1S/C22H16ClN3O3/c23-15-7-9-16(10-8-15)26-22(28)21(19(24)13-25-26)29-17-11-5-14(6-12-17)18-3-1-2-4-20(18)27/h1-13,27H,24H2
InChIKeyDZWUQRSFJXSDTQ-UHFFFAOYSA-N
XLogP4.63
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-chlorophenyl)-4-[4-(2-hydroxyphenyl)phenoxy]pyridazin-3-one?
The IUPAC name of 5-amino-2-(4-chlorophenyl)-4-[4-(2-hydroxyphenyl)phenoxy]pyridazin-3-one (CID 71103286) is 5-amino-2-(4-chlorophenyl)-4-[4-(2-hydroxyphenyl)phenoxy]pyridazin-3-one.
What is the SMILES notation for 5-amino-2-(4-chlorophenyl)-4-[4-(2-hydroxyphenyl)phenoxy]pyridazin-3-one?
The canonical SMILES for 5-amino-2-(4-chlorophenyl)-4-[4-(2-hydroxyphenyl)phenoxy]pyridazin-3-one is Nc1cnn(-c2ccc(Cl)cc2)c(=O)c1Oc1ccc(-c2ccccc2O)cc1.
What is the InChIKey of 5-amino-2-(4-chlorophenyl)-4-[4-(2-hydroxyphenyl)phenoxy]pyridazin-3-one?
The InChIKey is DZWUQRSFJXSDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O3/c23-15-7-9-16(10-8-15)26-22(28)21(19(24)13-25-26)29-17-11-5-14(6-12-17)18-3-1-2-4-20(18)27/h1-13,27H,24H2.
What are the key properties of 5-amino-2-(4-chlorophenyl)-4-[4-(2-hydroxyphenyl)phenoxy]pyridazin-3-one?
5-amino-2-(4-chlorophenyl)-4-[4-(2-hydroxyphenyl)phenoxy]pyridazin-3-one has a molecular weight of 405.84 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-chlorophenyl)-4-[4-(2-hydroxyphenyl)phenoxy]pyridazin-3-one is sourced from PubChem (CID 71103286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).