prop-2-enyl 4-(3-chlorophenyl)-6-methyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate

C24H24ClNO3 — CID 42854673

About prop-2-enyl 4-(3-chlorophenyl)-6-methyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate

prop-2-enyl 4-(3-chlorophenyl)-6-methyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate (PubChem CID 42854673) has the molecular formula C24H24ClNO3 and a molecular weight of 409.91 g/mol. Its IUPAC name is prop-2-enyl 4-(3-chlorophenyl)-6-methyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

• Compound Name: prop-2-enyl 4-(3-chlorophenyl)-6-methyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
• PubChem CID: 42854673
• Molecular Formula: C24H24ClNO3
• Molecular Weight: 409.91 g/mol
• Exact Mass: 409.14
• IUPAC Name: prop-2-enyl 4-(3-chlorophenyl)-6-methyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate
• SMILES: C=CCOC(=O)C1=C(C)N(Cc2cccc(C)c2)C(=O)CC1c1cccc(Cl)c1
• InChI: InChI=1S/C24H24ClNO3/c1-4-11-29-24(28)23-17(3)26(15-18-8-5-7-16(2)12-18)22(27)14-21(23)19-9-6-10-20(25)13-19/h4-10,12-13,21H,1,11,14-15H2,2-3H3
• InChIKey: KKMAYBLTOZMHQE-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 46.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.91
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-(3-chlorophenyl)-6-methyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate?

The IUPAC name of prop-2-enyl 4-(3-chlorophenyl)-6-methyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate (CID 42854673) is prop-2-enyl 4-(3-chlorophenyl)-6-methyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate.

What is the SMILES notation for prop-2-enyl 4-(3-chlorophenyl)-6-methyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate?

The canonical SMILES for prop-2-enyl 4-(3-chlorophenyl)-6-methyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate is C=CCOC(=O)C1=C(C)N(Cc2cccc(C)c2)C(=O)CC1c1cccc(Cl)c1.

What is the InChIKey of prop-2-enyl 4-(3-chlorophenyl)-6-methyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate?

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

What are the key properties of prop-2-enyl 4-(3-chlorophenyl)-6-methyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate?

prop-2-enyl 4-(3-chlorophenyl)-6-methyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate has a molecular weight of 409.91 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for prop-2-enyl 4-(3-chlorophenyl)-6-methyl-1-[(3-methylphenyl)methyl]-2-oxo-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 42854673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).