ethyl 4-(2-chlorophenyl)-5-cyano-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylate

C22H19ClN2O2 — CID 46914315

IUPACethyl 4-(2-chlorophenyl)-5-cyano-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)NC(C)=C(C#N)C1c1ccccc1Cl
InChIInChI=1S/C22H19ClN2O2/c1-3-27-22(26)20-19(16-11-7-8-12-18(16)23)17(13-24)14(2)25-21(20)15-9-5-4-6-10-15/h4-12,19,25H,3H2,1-2H3
InChIKeyFONVSYLXWUQRJN-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.80
Rot. Bonds4

About ethyl 4-(2-chlorophenyl)-5-cyano-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylate

ethyl 4-(2-chlorophenyl)-5-cyano-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylate (PubChem CID 46914315) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is ethyl 4-(2-chlorophenyl)-5-cyano-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-chlorophenyl)-5-cyano-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylate
PubChem CID46914315
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC Nameethyl 4-(2-chlorophenyl)-5-cyano-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)NC(C)=C(C#N)C1c1ccccc1Cl
InChIInChI=1S/C22H19ClN2O2/c1-3-27-22(26)20-19(16-11-7-8-12-18(16)23)17(13-24)14(2)25-21(20)15-9-5-4-6-10-15/h4-12,19,25H,3H2,1-2H3
InChIKeyFONVSYLXWUQRJN-UHFFFAOYSA-N
XLogP4.80
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(2-chlorophenyl)-5-cyano-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Methyl 4-(2-chloro-4-fluorophenyl)-5-cyano-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
CID 11558794
3-O-ethyl 5-O-methyl 2-[2-[benzyl(methyl)amino]ethoxymethyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 13663159
Methyl 4-(2-chlorophenyl)-5-cyano-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
CID 20248265
Methyl 4-(2-chlorophenyl)-5-cyano-2-(methoxymethyl)-6-methyl-1,4-dihydropyridine-3-carboxylate
CID 46914314
Propan-2-yl 4-(2-chlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 3116114
Ethyl 4-(2-chlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 3128840
Tert-butyl 4-(2-chloro-4-fluorophenyl)-5-cyano-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
CID 46237842
CID 46237978
CID 46237978
Methyl 4-(2-chlorophenyl)-5-cyano-2-ethyl-6-methyl-1,4-dihydropyridine-3-carboxylate
CID 46914310
Methyl 4-(2-chlorophenyl)-5-cyano-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate
CID 46914311
Methyl 4-(2-chlorophenyl)-5-cyano-6-methyl-2-propan-2-yl-1,4-dihydropyridine-3-carboxylate
CID 46914312
Methyl 2-butyl-4-(2-chlorophenyl)-5-cyano-6-methyl-1,4-dihydropyridine-3-carboxylate
CID 46914313

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-chlorophenyl)-5-cyano-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylate?
The IUPAC name of ethyl 4-(2-chlorophenyl)-5-cyano-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylate (CID 46914315) is ethyl 4-(2-chlorophenyl)-5-cyano-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-chlorophenyl)-5-cyano-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(2-chlorophenyl)-5-cyano-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylate is CCOC(=O)C1=C(c2ccccc2)NC(C)=C(C#N)C1c1ccccc1Cl.
What is the InChIKey of ethyl 4-(2-chlorophenyl)-5-cyano-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylate?
The InChIKey is FONVSYLXWUQRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-3-27-22(26)20-19(16-11-7-8-12-18(16)23)17(13-24)14(2)25-21(20)15-9-5-4-6-10-15/h4-12,19,25H,3H2,1-2H3.
What are the key properties of ethyl 4-(2-chlorophenyl)-5-cyano-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylate?
ethyl 4-(2-chlorophenyl)-5-cyano-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylate has a molecular weight of 378.86 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-chlorophenyl)-5-cyano-6-methyl-2-phenyl-1,4-dihydropyridine-3-carboxylate is sourced from PubChem (CID 46914315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).