5,6-bis(4-methoxyphenyl)-2-prop-2-enylpyridazin-3-one

C21H20N2O3 — CID 10291410

IUPAC5,6-bis(4-methoxyphenyl)-2-prop-2-enylpyridazin-3-one
SMILESC=CCn1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)cc1=O
InChIInChI=1S/C21H20N2O3/c1-4-13-23-20(24)14-19(15-5-9-17(25-2)10-6-15)21(22-23)16-7-11-18(26-3)12-8-16/h4-12,14H,1,13H2,2-3H3
InChIKeyQZRDRDBPDBMPEK-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.78
Rot. Bonds6

About 5,6-bis(4-methoxyphenyl)-2-prop-2-enylpyridazin-3-one

5,6-bis(4-methoxyphenyl)-2-prop-2-enylpyridazin-3-one (PubChem CID 10291410) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5,6-bis(4-methoxyphenyl)-2-prop-2-enylpyridazin-3-one.

Molecular Properties

Compound Name5,6-bis(4-methoxyphenyl)-2-prop-2-enylpyridazin-3-one
PubChem CID10291410
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name5,6-bis(4-methoxyphenyl)-2-prop-2-enylpyridazin-3-one
SMILESC=CCn1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)cc1=O
InChIInChI=1S/C21H20N2O3/c1-4-13-23-20(24)14-19(15-5-9-17(25-2)10-6-15)21(22-23)16-7-11-18(26-3)12-8-16/h4-12,14H,1,13H2,2-3H3
InChIKeyQZRDRDBPDBMPEK-UHFFFAOYSA-N
XLogP3.78
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-methoxyphenyl)-2-prop-2-enylpyridazin-3-one?
The IUPAC name of 5,6-bis(4-methoxyphenyl)-2-prop-2-enylpyridazin-3-one (CID 10291410) is 5,6-bis(4-methoxyphenyl)-2-prop-2-enylpyridazin-3-one.
What is the SMILES notation for 5,6-bis(4-methoxyphenyl)-2-prop-2-enylpyridazin-3-one?
The canonical SMILES for 5,6-bis(4-methoxyphenyl)-2-prop-2-enylpyridazin-3-one is C=CCn1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)cc1=O.
What is the InChIKey of 5,6-bis(4-methoxyphenyl)-2-prop-2-enylpyridazin-3-one?
The InChIKey is QZRDRDBPDBMPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-4-13-23-20(24)14-19(15-5-9-17(25-2)10-6-15)21(22-23)16-7-11-18(26-3)12-8-16/h4-12,14H,1,13H2,2-3H3.
What are the key properties of 5,6-bis(4-methoxyphenyl)-2-prop-2-enylpyridazin-3-one?
5,6-bis(4-methoxyphenyl)-2-prop-2-enylpyridazin-3-one has a molecular weight of 348.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-methoxyphenyl)-2-prop-2-enylpyridazin-3-one is sourced from PubChem (CID 10291410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).