phenacyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

C24H24ClNO5 — CID 118694507

IUPACphenacyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCOCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCC(=O)c2ccccc2)=C1C
InChIInChI=1S/C24H24ClNO5/c1-16-23(24(29)31-15-21(27)18-6-4-3-5-7-18)20(17-8-10-19(25)11-9-17)14-22(28)26(16)12-13-30-2/h3-11,20H,12-15H2,1-2H3
InChIKeyHFZAWUPSKIEZLO-UHFFFAOYSA-N
MW441.91 g/mol
LogP4.00
Rot. Bonds8

About phenacyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

phenacyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (PubChem CID 118694507) has the molecular formula C24H24ClNO5 and a molecular weight of 441.91 g/mol. Its IUPAC name is phenacyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Namephenacyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
PubChem CID118694507
Molecular FormulaC24H24ClNO5
Molecular Weight441.91 g/mol
Exact Mass441.13
IUPAC Namephenacyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCOCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCC(=O)c2ccccc2)=C1C
InChIInChI=1S/C24H24ClNO5/c1-16-23(24(29)31-15-21(27)18-6-4-3-5-7-18)20(17-8-10-19(25)11-9-17)14-22(28)26(16)12-13-30-2/h3-11,20H,12-15H2,1-2H3
InChIKeyHFZAWUPSKIEZLO-UHFFFAOYSA-N
XLogP4.00
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.91
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenacyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of phenacyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (CID 118694507) is phenacyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for phenacyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for phenacyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCC(=O)c2ccccc2)=C1C.
What is the InChIKey of phenacyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The InChIKey is HFZAWUPSKIEZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO5/c1-16-23(24(29)31-15-21(27)18-6-4-3-5-7-18)20(17-8-10-19(25)11-9-17)14-22(28)26(16)12-13-30-2/h3-11,20H,12-15H2,1-2H3.
What are the key properties of phenacyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
phenacyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate has a molecular weight of 441.91 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 118694507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).