4-(2,3-dichlorophenyl)-5-[2-(4-methoxyphenyl)ethoxycarbonyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid

C24H23Cl2NO5 — CID 141332494

About 4-(2,3-dichlorophenyl)-5-[2-(4-methoxyphenyl)ethoxycarbonyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid

4-(2,3-dichlorophenyl)-5-[2-(4-methoxyphenyl)ethoxycarbonyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid (PubChem CID 141332494) has the molecular formula C24H23Cl2NO5 and a molecular weight of 476.36 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-5-[2-(4-methoxyphenyl)ethoxycarbonyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 4-(2,3-dichlorophenyl)-5-[2-(4-methoxyphenyl)ethoxycarbonyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid
• PubChem CID: 141332494
• Molecular Formula: C24H23Cl2NO5
• Molecular Weight: 476.36 g/mol
• Exact Mass: 475.10
• IUPAC Name: 4-(2,3-dichlorophenyl)-5-[2-(4-methoxyphenyl)ethoxycarbonyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid
• SMILES: COc1ccc(CCOC(=O)C2=C(C)NC(C)=C(C(=O)O)C2c2cccc(Cl)c2Cl)cc1
• InChI: InChI=1S/C24H23Cl2NO5/c1-13-19(23(28)29)21(17-5-4-6-18(25)22(17)26)20(14(2)27-13)24(30)32-12-11-15-7-9-16(31-3)10-8-15/h4-10,21,27H,11-12H2,1-3H3,(H,28,29)
• InChIKey: WYVMNZNEFZQJGW-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 84.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.36
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-5-[2-(4-methoxyphenyl)ethoxycarbonyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid?

The IUPAC name of 4-(2,3-dichlorophenyl)-5-[2-(4-methoxyphenyl)ethoxycarbonyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid (CID 141332494) is 4-(2,3-dichlorophenyl)-5-[2-(4-methoxyphenyl)ethoxycarbonyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid.

What is the SMILES notation for 4-(2,3-dichlorophenyl)-5-[2-(4-methoxyphenyl)ethoxycarbonyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid?

The canonical SMILES for 4-(2,3-dichlorophenyl)-5-[2-(4-methoxyphenyl)ethoxycarbonyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid is COc1ccc(CCOC(=O)C2=C(C)NC(C)=C(C(=O)O)C2c2cccc(Cl)c2Cl)cc1.

What is the InChIKey of 4-(2,3-dichlorophenyl)-5-[2-(4-methoxyphenyl)ethoxycarbonyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid?

The InChIKey is WYVMNZNEFZQJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2NO5/c1-13-19(23(28)29)21(17-5-4-6-18(25)22(17)26)20(14(2)27-13)24(30)32-12-11-15-7-9-16(31-3)10-8-15/h4-10,21,27H,11-12H2,1-3H3,(H,28,29).

What are the key properties of 4-(2,3-dichlorophenyl)-5-[2-(4-methoxyphenyl)ethoxycarbonyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid?

4-(2,3-dichlorophenyl)-5-[2-(4-methoxyphenyl)ethoxycarbonyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid has a molecular weight of 476.36 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,3-dichlorophenyl)-5-[2-(4-methoxyphenyl)ethoxycarbonyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid is sourced from PubChem (CID 141332494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).