3-acetyl-5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)pyridin-2-one

C22H19NO5 — CID 17475128

IUPAC3-acetyl-5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)pyridin-2-one
SMILESCOc1ccccc1-n1cc(C(=O)c2cc(C)ccc2O)cc(C(C)=O)c1=O
InChIInChI=1S/C22H19NO5/c1-13-8-9-19(25)17(10-13)21(26)15-11-16(14(2)24)22(27)23(12-15)18-6-4-5-7-20(18)28-3/h4-12,25H,1-3H3
InChIKeyQSNFNRHPRBYXLX-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.29
Rot. Bonds5

About 3-acetyl-5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)pyridin-2-one

3-acetyl-5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)pyridin-2-one (PubChem CID 17475128) has the molecular formula C22H19NO5 and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-acetyl-5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name3-acetyl-5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)pyridin-2-one
PubChem CID17475128
Molecular FormulaC22H19NO5
Molecular Weight377.40 g/mol
Exact Mass377.13
IUPAC Name3-acetyl-5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)pyridin-2-one
SMILESCOc1ccccc1-n1cc(C(=O)c2cc(C)ccc2O)cc(C(C)=O)c1=O
InChIInChI=1S/C22H19NO5/c1-13-8-9-19(25)17(10-13)21(26)15-11-16(14(2)24)22(27)23(12-15)18-6-4-5-7-20(18)28-3/h4-12,25H,1-3H3
InChIKeyQSNFNRHPRBYXLX-UHFFFAOYSA-N
XLogP3.29
TPSA85.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)pyridin-2-one?
The IUPAC name of 3-acetyl-5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)pyridin-2-one (CID 17475128) is 3-acetyl-5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)pyridin-2-one.
What is the SMILES notation for 3-acetyl-5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)pyridin-2-one?
The canonical SMILES for 3-acetyl-5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)pyridin-2-one is COc1ccccc1-n1cc(C(=O)c2cc(C)ccc2O)cc(C(C)=O)c1=O.
What is the InChIKey of 3-acetyl-5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)pyridin-2-one?
The InChIKey is QSNFNRHPRBYXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5/c1-13-8-9-19(25)17(10-13)21(26)15-11-16(14(2)24)22(27)23(12-15)18-6-4-5-7-20(18)28-3/h4-12,25H,1-3H3.
What are the key properties of 3-acetyl-5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)pyridin-2-one?
3-acetyl-5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)pyridin-2-one has a molecular weight of 377.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-(2-hydroxy-5-methylbenzoyl)-1-(2-methoxyphenyl)pyridin-2-one is sourced from PubChem (CID 17475128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).