cyclohexylmethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

C23H30ClNO4 — CID 118694423

IUPACcyclohexylmethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCOCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCC2CCCCC2)=C1C
InChIInChI=1S/C23H30ClNO4/c1-16-22(23(27)29-15-17-6-4-3-5-7-17)20(18-8-10-19(24)11-9-18)14-21(26)25(16)12-13-28-2/h8-11,17,20H,3-7,12-15H2,1-2H3
InChIKeyBEVAJAFZPYBOJJ-UHFFFAOYSA-N
MW419.95 g/mol
LogP4.70
Rot. Bonds7

About cyclohexylmethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate

cyclohexylmethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (PubChem CID 118694423) has the molecular formula C23H30ClNO4 and a molecular weight of 419.95 g/mol. Its IUPAC name is cyclohexylmethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
PubChem CID118694423
Molecular FormulaC23H30ClNO4
Molecular Weight419.95 g/mol
Exact Mass419.19
IUPAC Namecyclohexylmethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCOCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCC2CCCCC2)=C1C
InChIInChI=1S/C23H30ClNO4/c1-16-22(23(27)29-15-17-6-4-3-5-7-17)20(18-8-10-19(24)11-9-18)14-21(26)25(16)12-13-28-2/h8-11,17,20H,3-7,12-15H2,1-2H3
InChIKeyBEVAJAFZPYBOJJ-UHFFFAOYSA-N
XLogP4.70
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.95
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of cyclohexylmethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate (CID 118694423) is cyclohexylmethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for cyclohexylmethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for cyclohexylmethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is COCCN1C(=O)CC(c2ccc(Cl)cc2)C(C(=O)OCC2CCCCC2)=C1C.
What is the InChIKey of cyclohexylmethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
The InChIKey is BEVAJAFZPYBOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClNO4/c1-16-22(23(27)29-15-17-6-4-3-5-7-17)20(18-8-10-19(24)11-9-18)14-21(26)25(16)12-13-28-2/h8-11,17,20H,3-7,12-15H2,1-2H3.
What are the key properties of cyclohexylmethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate?
cyclohexylmethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate has a molecular weight of 419.95 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 4-(4-chlorophenyl)-1-(2-methoxyethyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 118694423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).