4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one

C21H19NO5 — CID 155525196

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one
SMILESCOc1ccc(-c2cc(-c3ccc4c(c3)OCCO4)cc(=O)[nH]2)c(OC)c1
InChIInChI=1S/C21H19NO5/c1-24-15-4-5-16(19(12-15)25-2)17-9-14(11-21(23)22-17)13-3-6-18-20(10-13)27-8-7-26-18/h3-6,9-12H,7-8H2,1-2H3,(H,22,23)
InChIKeyYSTBALIMPSMNKT-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.50
Rot. Bonds4

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one (PubChem CID 155525196) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one
PubChem CID155525196
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one
SMILESCOc1ccc(-c2cc(-c3ccc4c(c3)OCCO4)cc(=O)[nH]2)c(OC)c1
InChIInChI=1S/C21H19NO5/c1-24-15-4-5-16(19(12-15)25-2)17-9-14(11-21(23)22-17)13-3-6-18-20(10-13)27-8-7-26-18/h3-6,9-12H,7-8H2,1-2H3,(H,22,23)
InChIKeyYSTBALIMPSMNKT-UHFFFAOYSA-N
XLogP3.50
TPSA69.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one (CID 155525196) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one is COc1ccc(-c2cc(-c3ccc4c(c3)OCCO4)cc(=O)[nH]2)c(OC)c1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one?
The InChIKey is YSTBALIMPSMNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c1-24-15-4-5-16(19(12-15)25-2)17-9-14(11-21(23)22-17)13-3-6-18-20(10-13)27-8-7-26-18/h3-6,9-12H,7-8H2,1-2H3,(H,22,23).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one has a molecular weight of 365.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2,4-dimethoxyphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 155525196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).