diethyl 2,6-dimethyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate

C23H26N2O5 — CID 646662

IUPACdiethyl 2,6-dimethyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc2ccc(C)cc2[nH]c1=O
InChIInChI=1S/C23H26N2O5/c1-6-29-22(27)18-13(4)24-14(5)19(23(28)30-7-2)20(18)16-11-15-9-8-12(3)10-17(15)25-21(16)26/h8-11,20,24H,6-7H2,1-5H3,(H,25,26)
InChIKeyLAJVASZPIWUIAP-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.20
Rot. Bonds5

About diethyl 2,6-dimethyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate

diethyl 2,6-dimethyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 646662) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is diethyl 2,6-dimethyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,6-dimethyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID646662
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Namediethyl 2,6-dimethyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc2ccc(C)cc2[nH]c1=O
InChIInChI=1S/C23H26N2O5/c1-6-29-22(27)18-13(4)24-14(5)19(23(28)30-7-2)20(18)16-11-15-9-8-12(3)10-17(15)25-21(16)26/h8-11,20,24H,6-7H2,1-5H3,(H,25,26)
InChIKeyLAJVASZPIWUIAP-UHFFFAOYSA-N
XLogP3.20
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl 2,6-dimethyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 2,6-dimethyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate (CID 646662) is diethyl 2,6-dimethyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2,6-dimethyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 2,6-dimethyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate is CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc2ccc(C)cc2[nH]c1=O.
What is the InChIKey of diethyl 2,6-dimethyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is LAJVASZPIWUIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-6-29-22(27)18-13(4)24-14(5)19(23(28)30-7-2)20(18)16-11-15-9-8-12(3)10-17(15)25-21(16)26/h8-11,20,24H,6-7H2,1-5H3,(H,25,26).
What are the key properties of diethyl 2,6-dimethyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
diethyl 2,6-dimethyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 410.47 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,6-dimethyl-4-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 646662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).