6-(2,4-dimethoxyphenyl)-4-(4-propoxyphenyl)-1H-pyridin-2-one

C22H23NO4 — CID 155561563

IUPAC6-(2,4-dimethoxyphenyl)-4-(4-propoxyphenyl)-1H-pyridin-2-one
SMILESCCCOc1ccc(-c2cc(-c3ccc(OC)cc3OC)[nH]c(=O)c2)cc1
InChIInChI=1S/C22H23NO4/c1-4-11-27-17-7-5-15(6-8-17)16-12-20(23-22(24)13-16)19-10-9-18(25-2)14-21(19)26-3/h5-10,12-14H,4,11H2,1-3H3,(H,23,24)
InChIKeyVFNICRMHDJZYIO-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.51
Rot. Bonds7

About 6-(2,4-dimethoxyphenyl)-4-(4-propoxyphenyl)-1H-pyridin-2-one

6-(2,4-dimethoxyphenyl)-4-(4-propoxyphenyl)-1H-pyridin-2-one (PubChem CID 155561563) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 6-(2,4-dimethoxyphenyl)-4-(4-propoxyphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2,4-dimethoxyphenyl)-4-(4-propoxyphenyl)-1H-pyridin-2-one
PubChem CID155561563
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name6-(2,4-dimethoxyphenyl)-4-(4-propoxyphenyl)-1H-pyridin-2-one
SMILESCCCOc1ccc(-c2cc(-c3ccc(OC)cc3OC)[nH]c(=O)c2)cc1
InChIInChI=1S/C22H23NO4/c1-4-11-27-17-7-5-15(6-8-17)16-12-20(23-22(24)13-16)19-10-9-18(25-2)14-21(19)26-3/h5-10,12-14H,4,11H2,1-3H3,(H,23,24)
InChIKeyVFNICRMHDJZYIO-UHFFFAOYSA-N
XLogP4.51
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxyphenyl)-4-(4-propoxyphenyl)-1H-pyridin-2-one?
The IUPAC name of 6-(2,4-dimethoxyphenyl)-4-(4-propoxyphenyl)-1H-pyridin-2-one (CID 155561563) is 6-(2,4-dimethoxyphenyl)-4-(4-propoxyphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(2,4-dimethoxyphenyl)-4-(4-propoxyphenyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(2,4-dimethoxyphenyl)-4-(4-propoxyphenyl)-1H-pyridin-2-one is CCCOc1ccc(-c2cc(-c3ccc(OC)cc3OC)[nH]c(=O)c2)cc1.
What is the InChIKey of 6-(2,4-dimethoxyphenyl)-4-(4-propoxyphenyl)-1H-pyridin-2-one?
The InChIKey is VFNICRMHDJZYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-4-11-27-17-7-5-15(6-8-17)16-12-20(23-22(24)13-16)19-10-9-18(25-2)14-21(19)26-3/h5-10,12-14H,4,11H2,1-3H3,(H,23,24).
What are the key properties of 6-(2,4-dimethoxyphenyl)-4-(4-propoxyphenyl)-1H-pyridin-2-one?
6-(2,4-dimethoxyphenyl)-4-(4-propoxyphenyl)-1H-pyridin-2-one has a molecular weight of 365.43 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxyphenyl)-4-(4-propoxyphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 155561563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).