benzyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-1-(2-methylprop-2-enyl)-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-ynyl-3,4-dihydropyridine-5-carboxylate

C93H90Cl4N4O13 — CID 158332255

About benzyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-1-(2-methylprop-2-enyl)-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-ynyl-3,4-dihydropyridine-5-carboxylate

benzyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-1-(2-methylprop-2-enyl)-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-ynyl-3,4-dihydropyridine-5-carboxylate (PubChem CID 158332255) has the molecular formula C93H90Cl4N4O13 and a molecular weight of 1613.57 g/mol. Its IUPAC name is benzyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-1-(2-methylprop-2-enyl)-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-ynyl-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

• Compound Name: benzyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-1-(2-methylprop-2-enyl)-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-ynyl-3,4-dihydropyridine-5-carboxylate
• PubChem CID: 158332255
• Molecular Formula: C93H90Cl4N4O13
• Molecular Weight: 1613.57 g/mol
• Exact Mass: 1610.53
• IUPAC Name: benzyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-1-(2-methylprop-2-enyl)-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-ynyl-3,4-dihydropyridine-5-carboxylate
• SMILES: C#CCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C.C=C(C)CN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C.C=CCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C.COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C
• InChI: InChI=1S/C24H24ClNO3.C23H24ClNO4.C23H22ClNO3.C23H20ClNO3/c1-16(2)14-26-17(3)23(24(28)29-15-18-7-5-4-6-8-18)21(13-22(26)27)19-9-11-20(25)12-10-19;1-16-22(23(27)29-15-17-6-4-3-5-7-17)20(18-8-10-19(24)11-9-18)14-21(26)25(16)12-13-28-2;2*1-3-13-25-16(2)22(23(27)28-15-17-7-5-4-6-8-17)20(14-21(25)26)18-9-11-19(24)12-10-18/h4-12,21H,1,13-15H2,2-3H3;3-11,20H,12-15H2,1-2H3;3-12,20H,1,13-15H2,2H3;1,4-12,20H,13-15H2,2H3
• InChIKey: GQDQOHFATHCWMR-UHFFFAOYSA-N
• XLogP: 18.73
• TPSA: 195.67 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 24
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1613.57
LogP ≤ 5	18.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-1-(2-methylprop-2-enyl)-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-ynyl-3,4-dihydropyridine-5-carboxylate?

The IUPAC name of benzyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-1-(2-methylprop-2-enyl)-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-ynyl-3,4-dihydropyridine-5-carboxylate (CID 158332255) is benzyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-1-(2-methylprop-2-enyl)-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-ynyl-3,4-dihydropyridine-5-carboxylate.

What is the SMILES notation for benzyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-1-(2-methylprop-2-enyl)-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-ynyl-3,4-dihydropyridine-5-carboxylate?

The canonical SMILES for benzyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-1-(2-methylprop-2-enyl)-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-ynyl-3,4-dihydropyridine-5-carboxylate is C#CCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C.C=C(C)CN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C.C=CCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C.COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C.

What is the InChIKey of benzyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-1-(2-methylprop-2-enyl)-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-ynyl-3,4-dihydropyridine-5-carboxylate?

The InChIKey is GQDQOHFATHCWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO3.C23H24ClNO4.C23H22ClNO3.C23H20ClNO3/c1-16(2)14-26-17(3)23(24(28)29-15-18-7-5-4-6-8-18)21(13-22(26)27)19-9-11-20(25)12-10-19;1-16-22(23(27)29-15-17-6-4-3-5-7-17)20(18-8-10-19(24)11-9-18)14-21(26)25(16)12-13-28-2;2*1-3-13-25-16(2)22(23(27)28-15-17-7-5-4-6-8-17)20(14-21(25)26)18-9-11-19(24)12-10-18/h4-12,21H,1,13-15H2,2-3H3;3-11,20H,12-15H2,1-2H3;3-12,20H,1,13-15H2,2H3;1,4-12,20H,13-15H2,2H3.

What are the key properties of benzyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-1-(2-methylprop-2-enyl)-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-ynyl-3,4-dihydropyridine-5-carboxylate?

benzyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-1-(2-methylprop-2-enyl)-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-ynyl-3,4-dihydropyridine-5-carboxylate has a molecular weight of 1613.57 g/mol, XLogP of 18.73, 24 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-1-(2-methylprop-2-enyl)-2-oxo-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-enyl-3,4-dihydropyridine-5-carboxylate;benzyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1-prop-2-ynyl-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 158332255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).