diethyl 2,6-dimethyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate

C23H28N2O5 — CID 155804372

IUPACdiethyl 2,6-dimethyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1CN1C(=O)CCc2ccccc21
InChIInChI=1S/C23H28N2O5/c1-5-29-22(27)20-14(3)24-15(4)21(23(28)30-6-2)17(20)13-25-18-10-8-7-9-16(18)11-12-19(25)26/h7-10,17,24H,5-6,11-13H2,1-4H3
InChIKeyMWKIRAADABAAIH-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.86
Rot. Bonds6

About diethyl 2,6-dimethyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate

diethyl 2,6-dimethyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 155804372) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is diethyl 2,6-dimethyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,6-dimethyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID155804372
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Namediethyl 2,6-dimethyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1CN1C(=O)CCc2ccccc21
InChIInChI=1S/C23H28N2O5/c1-5-29-22(27)20-14(3)24-15(4)21(23(28)30-6-2)17(20)13-25-18-10-8-7-9-16(18)11-12-19(25)26/h7-10,17,24H,5-6,11-13H2,1-4H3
InChIKeyMWKIRAADABAAIH-UHFFFAOYSA-N
XLogP2.86
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl 2,6-dimethyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 2,6-dimethyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate (CID 155804372) is diethyl 2,6-dimethyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2,6-dimethyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 2,6-dimethyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate is CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1CN1C(=O)CCc2ccccc21.
What is the InChIKey of diethyl 2,6-dimethyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is MWKIRAADABAAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-5-29-22(27)20-14(3)24-15(4)21(23(28)30-6-2)17(20)13-25-18-10-8-7-9-16(18)11-12-19(25)26/h7-10,17,24H,5-6,11-13H2,1-4H3.
What are the key properties of diethyl 2,6-dimethyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate?
diethyl 2,6-dimethyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 412.49 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,6-dimethyl-4-[(2-oxo-3,4-dihydroquinolin-1-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 155804372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).