1-benzyl-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydropyridin-4-one

C25H23NO2 — CID 56588370

IUPAC1-benzyl-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydropyridin-4-one
SMILESCOc1ccc(C2CC(=O)C(c3ccccc3)=CN2Cc2ccccc2)cc1
InChIInChI=1S/C25H23NO2/c1-28-22-14-12-21(13-15-22)24-16-25(27)23(20-10-6-3-7-11-20)18-26(24)17-19-8-4-2-5-9-19/h2-15,18,24H,16-17H2,1H3
InChIKeyYJBUXSCEUORULK-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.25
Rot. Bonds5

About 1-benzyl-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydropyridin-4-one

1-benzyl-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydropyridin-4-one (PubChem CID 56588370) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 1-benzyl-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name1-benzyl-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydropyridin-4-one
PubChem CID56588370
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name1-benzyl-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydropyridin-4-one
SMILESCOc1ccc(C2CC(=O)C(c3ccccc3)=CN2Cc2ccccc2)cc1
InChIInChI=1S/C25H23NO2/c1-28-22-14-12-21(13-15-22)24-16-25(27)23(20-10-6-3-7-11-20)18-26(24)17-19-8-4-2-5-9-19/h2-15,18,24H,16-17H2,1H3
InChIKeyYJBUXSCEUORULK-UHFFFAOYSA-N
XLogP5.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydropyridin-4-one?
The IUPAC name of 1-benzyl-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydropyridin-4-one (CID 56588370) is 1-benzyl-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydropyridin-4-one.
What is the SMILES notation for 1-benzyl-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydropyridin-4-one?
The canonical SMILES for 1-benzyl-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydropyridin-4-one is COc1ccc(C2CC(=O)C(c3ccccc3)=CN2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydropyridin-4-one?
The InChIKey is YJBUXSCEUORULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-28-22-14-12-21(13-15-22)24-16-25(27)23(20-10-6-3-7-11-20)18-26(24)17-19-8-4-2-5-9-19/h2-15,18,24H,16-17H2,1H3.
What are the key properties of 1-benzyl-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydropyridin-4-one?
1-benzyl-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydropyridin-4-one has a molecular weight of 369.46 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydropyridin-4-one is sourced from PubChem (CID 56588370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).