methyl 2-[4-(2-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]acetate

C19H22ClNO4 — CID 71158465

IUPACmethyl 2-[4-(2-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]acetate
SMILESCOC(=O)CC1=C(C)NC(C)=C(CC(=O)OC)C1c1ccccc1Cl
InChIInChI=1S/C19H22ClNO4/c1-11-14(9-17(22)24-3)19(13-7-5-6-8-16(13)20)15(12(2)21-11)10-18(23)25-4/h5-8,19,21H,9-10H2,1-4H3
InChIKeyGZHFHISBABFPQF-UHFFFAOYSA-N
MW363.84 g/mol
LogP3.70
Rot. Bonds5

About methyl 2-[4-(2-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]acetate

methyl 2-[4-(2-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]acetate (PubChem CID 71158465) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is methyl 2-[4-(2-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]acetate
PubChem CID71158465
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC Namemethyl 2-[4-(2-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]acetate
SMILESCOC(=O)CC1=C(C)NC(C)=C(CC(=O)OC)C1c1ccccc1Cl
InChIInChI=1S/C19H22ClNO4/c1-11-14(9-17(22)24-3)19(13-7-5-6-8-16(13)20)15(12(2)21-11)10-18(23)25-4/h5-8,19,21H,9-10H2,1-4H3
InChIKeyGZHFHISBABFPQF-UHFFFAOYSA-N
XLogP3.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-(2-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]acetate with MolForge

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Related Compounds

methyl 2-[4-(2,3-dichlorophenyl)-5-(ethylperoxymethyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]acetate
CID 89242340
5-(carboxymethyl)-4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid
CID 66809656
ethyl 2-[2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-5,6-dimethyl-1,4-dihydropyridin-3-yl]acetate
CID 142855801
5-O-(2-methoxy-2-phenylethyl) 3-O-methyl 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 67923802
5-O-ethyl 3-O-methyl 4-(2-chlorophenyl)-2-(hydroxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 143117884
5-O-(1-cyanoethyl) 3-O-methyl 4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 67923856
3-O-methyl 5-O-[[(2S)-oxolan-2-yl]methyl] (4R)-4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 86338878
5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2-methyl-6-(113C)methyl-(5,6-13C2)1,4-dihydropyridine-3,5-dicarboxylate
CID 169440420
5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 3333
dimethyl 2-(2-aminoethylsulfanylmethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 14569907
CID 70585326
CID 70585326
methyl (4S)-4-(2-chlorophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 6549459

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]acetate?
The IUPAC name of methyl 2-[4-(2-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]acetate (CID 71158465) is methyl 2-[4-(2-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]acetate is COC(=O)CC1=C(C)NC(C)=C(CC(=O)OC)C1c1ccccc1Cl.
What is the InChIKey of methyl 2-[4-(2-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]acetate?
The InChIKey is GZHFHISBABFPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4/c1-11-14(9-17(22)24-3)19(13-7-5-6-8-16(13)20)15(12(2)21-11)10-18(23)25-4/h5-8,19,21H,9-10H2,1-4H3.
What are the key properties of methyl 2-[4-(2-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]acetate?
methyl 2-[4-(2-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]acetate has a molecular weight of 363.84 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]acetate is sourced from PubChem (CID 71158465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).