4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid;propane

C17H21Cl2NO2 — CID 20975324

IUPAC4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid;propane
SMILESCC1=CC(c2cccc(Cl)c2Cl)C(C(=O)O)=C(C)N1.CCC
InChIInChI=1S/C14H13Cl2NO2.C3H8/c1-7-6-10(12(14(18)19)8(2)17-7)9-4-3-5-11(15)13(9)16;1-3-2/h3-6,10,17H,1-2H3,(H,18,19);3H2,1-2H3
InChIKeyXQRJFNQBUWRNHX-UHFFFAOYSA-N
MW342.27 g/mol
LogP5.36
Rot. Bonds2

About 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid;propane

4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid;propane (PubChem CID 20975324) has the molecular formula C17H21Cl2NO2 and a molecular weight of 342.27 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid;propane.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid;propane
PubChem CID20975324
Molecular FormulaC17H21Cl2NO2
Molecular Weight342.27 g/mol
Exact Mass341.09
IUPAC Name4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid;propane
SMILESCC1=CC(c2cccc(Cl)c2Cl)C(C(=O)O)=C(C)N1.CCC
InChIInChI=1S/C14H13Cl2NO2.C3H8/c1-7-6-10(12(14(18)19)8(2)17-7)9-4-3-5-11(15)13(9)16;1-3-2/h3-6,10,17H,1-2H3,(H,18,19);3H2,1-2H3
InChIKeyXQRJFNQBUWRNHX-UHFFFAOYSA-N
XLogP5.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.27
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid;propane?
The IUPAC name of 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid;propane (CID 20975324) is 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid;propane.
What is the SMILES notation for 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid;propane?
The canonical SMILES for 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid;propane is CC1=CC(c2cccc(Cl)c2Cl)C(C(=O)O)=C(C)N1.CCC.
What is the InChIKey of 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid;propane?
The InChIKey is XQRJFNQBUWRNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2.C3H8/c1-7-6-10(12(14(18)19)8(2)17-7)9-4-3-5-11(15)13(9)16;1-3-2/h3-6,10,17H,1-2H3,(H,18,19);3H2,1-2H3.
What are the key properties of 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid;propane?
4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid;propane has a molecular weight of 342.27 g/mol, XLogP of 5.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid;propane is sourced from PubChem (CID 20975324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).