2-methoxyethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

C16H18ClNO4 — CID 2866945

IUPAC2-methoxyethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOCCOC(=O)C1=C(C)NC(=O)CC1c1ccccc1Cl
InChIInChI=1S/C16H18ClNO4/c1-10-15(16(20)22-8-7-21-2)12(9-14(19)18-10)11-5-3-4-6-13(11)17/h3-6,12H,7-9H2,1-2H3,(H,18,19)
InChIKeyHVABOTASIFSDRL-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.41
Rot. Bonds5

About 2-methoxyethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

2-methoxyethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 2866945) has the molecular formula C16H18ClNO4 and a molecular weight of 323.78 g/mol. Its IUPAC name is 2-methoxyethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID2866945
Molecular FormulaC16H18ClNO4
Molecular Weight323.78 g/mol
Exact Mass323.09
IUPAC Name2-methoxyethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOCCOC(=O)C1=C(C)NC(=O)CC1c1ccccc1Cl
InChIInChI=1S/C16H18ClNO4/c1-10-15(16(20)22-8-7-21-2)12(9-14(19)18-10)11-5-3-4-6-13(11)17/h3-6,12H,7-9H2,1-2H3,(H,18,19)
InChIKeyHVABOTASIFSDRL-UHFFFAOYSA-N
XLogP2.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of 2-methoxyethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (CID 2866945) is 2-methoxyethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for 2-methoxyethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for 2-methoxyethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is COCCOC(=O)C1=C(C)NC(=O)CC1c1ccccc1Cl.
What is the InChIKey of 2-methoxyethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is HVABOTASIFSDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4/c1-10-15(16(20)22-8-7-21-2)12(9-14(19)18-10)11-5-3-4-6-13(11)17/h3-6,12H,7-9H2,1-2H3,(H,18,19).
What are the key properties of 2-methoxyethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
2-methoxyethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 323.78 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 2866945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).