5-benzoyl-1-(4-methoxyphenyl)-6-methyl-3,4-dihydropyridin-2-one

C20H19NO3 — CID 751515

IUPAC5-benzoyl-1-(4-methoxyphenyl)-6-methyl-3,4-dihydropyridin-2-one
SMILESCOc1ccc(N2C(=O)CCC(C(=O)c3ccccc3)=C2C)cc1
InChIInChI=1S/C20H19NO3/c1-14-18(20(23)15-6-4-3-5-7-15)12-13-19(22)21(14)16-8-10-17(24-2)11-9-16/h3-11H,12-13H2,1-2H3
InChIKeyDICVLJQUTDRUTQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.98
Rot. Bonds4

About 5-benzoyl-1-(4-methoxyphenyl)-6-methyl-3,4-dihydropyridin-2-one

5-benzoyl-1-(4-methoxyphenyl)-6-methyl-3,4-dihydropyridin-2-one (PubChem CID 751515) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-benzoyl-1-(4-methoxyphenyl)-6-methyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name5-benzoyl-1-(4-methoxyphenyl)-6-methyl-3,4-dihydropyridin-2-one
PubChem CID751515
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name5-benzoyl-1-(4-methoxyphenyl)-6-methyl-3,4-dihydropyridin-2-one
SMILESCOc1ccc(N2C(=O)CCC(C(=O)c3ccccc3)=C2C)cc1
InChIInChI=1S/C20H19NO3/c1-14-18(20(23)15-6-4-3-5-7-15)12-13-19(22)21(14)16-8-10-17(24-2)11-9-16/h3-11H,12-13H2,1-2H3
InChIKeyDICVLJQUTDRUTQ-UHFFFAOYSA-N
XLogP3.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-1-(4-methoxyphenyl)-6-methyl-3,4-dihydropyridin-2-one?
The IUPAC name of 5-benzoyl-1-(4-methoxyphenyl)-6-methyl-3,4-dihydropyridin-2-one (CID 751515) is 5-benzoyl-1-(4-methoxyphenyl)-6-methyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 5-benzoyl-1-(4-methoxyphenyl)-6-methyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 5-benzoyl-1-(4-methoxyphenyl)-6-methyl-3,4-dihydropyridin-2-one is COc1ccc(N2C(=O)CCC(C(=O)c3ccccc3)=C2C)cc1.
What is the InChIKey of 5-benzoyl-1-(4-methoxyphenyl)-6-methyl-3,4-dihydropyridin-2-one?
The InChIKey is DICVLJQUTDRUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-14-18(20(23)15-6-4-3-5-7-15)12-13-19(22)21(14)16-8-10-17(24-2)11-9-16/h3-11H,12-13H2,1-2H3.
What are the key properties of 5-benzoyl-1-(4-methoxyphenyl)-6-methyl-3,4-dihydropyridin-2-one?
5-benzoyl-1-(4-methoxyphenyl)-6-methyl-3,4-dihydropyridin-2-one has a molecular weight of 321.38 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-1-(4-methoxyphenyl)-6-methyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 751515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).