3-O-ethyl 5-O-propan-2-yl 2,6-dimethyl-4-quinolin-8-yl-1,4-dihydropyridine-3,5-dicarboxylate

C23H26N2O4 — CID 10620654

IUPAC3-O-ethyl 5-O-propan-2-yl 2,6-dimethyl-4-quinolin-8-yl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2cccnc12
InChIInChI=1S/C23H26N2O4/c1-6-28-22(26)18-14(4)25-15(5)19(23(27)29-13(2)3)20(18)17-11-7-9-16-10-8-12-24-21(16)17/h7-13,20,25H,6H2,1-5H3
InChIKeyOYEWGJKVBVJLIY-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.98
Rot. Bonds5

About 3-O-ethyl 5-O-propan-2-yl 2,6-dimethyl-4-quinolin-8-yl-1,4-dihydropyridine-3,5-dicarboxylate

3-O-ethyl 5-O-propan-2-yl 2,6-dimethyl-4-quinolin-8-yl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 10620654) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-O-ethyl 5-O-propan-2-yl 2,6-dimethyl-4-quinolin-8-yl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Name3-O-ethyl 5-O-propan-2-yl 2,6-dimethyl-4-quinolin-8-yl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID10620654
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name3-O-ethyl 5-O-propan-2-yl 2,6-dimethyl-4-quinolin-8-yl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2cccnc12
InChIInChI=1S/C23H26N2O4/c1-6-28-22(26)18-14(4)25-15(5)19(23(27)29-13(2)3)20(18)17-11-7-9-16-10-8-12-24-21(16)17/h7-13,20,25H,6H2,1-5H3
InChIKeyOYEWGJKVBVJLIY-UHFFFAOYSA-N
XLogP3.98
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-O-ethyl 5-O-propan-2-yl 2,6-dimethyl-4-quinolin-8-yl-1,4-dihydropyridine-3,5-dicarboxylate with MolForge

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Related Compounds

diethyl 4-(2-methoxy-3-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 51058185
diethyl 2,6-dimethyl-4-(6-methyl-2-pyridinyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 2729685
propan-2-yl 2,6-dimethyl-5-nitro-4-(2-phenylquinolin-8-yl)-1,4-dihydropyridine-3-carboxylate
CID 15170353
diethyl 4-(2-aminophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 13374598
5-O-propan-2-yl 3-O-prop-2-enyl 4-(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 67923810
diethyl 4-(2-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 2748276
ethyl 4-quinolin-8-ylpyrrolidine-3-carboxylate
CID 114486851
propan-2-yl (4R)-4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 722758
dipropan-2-yl 4-[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 4556579
propan-2-yl 5-methyl-7-naphthalen-1-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135937000
propan-2-yl 5-methyl-7-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 3580682
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

Frequently Asked Questions

What is the IUPAC name of 3-O-ethyl 5-O-propan-2-yl 2,6-dimethyl-4-quinolin-8-yl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of 3-O-ethyl 5-O-propan-2-yl 2,6-dimethyl-4-quinolin-8-yl-1,4-dihydropyridine-3,5-dicarboxylate (CID 10620654) is 3-O-ethyl 5-O-propan-2-yl 2,6-dimethyl-4-quinolin-8-yl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for 3-O-ethyl 5-O-propan-2-yl 2,6-dimethyl-4-quinolin-8-yl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for 3-O-ethyl 5-O-propan-2-yl 2,6-dimethyl-4-quinolin-8-yl-1,4-dihydropyridine-3,5-dicarboxylate is CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2cccnc12.
What is the InChIKey of 3-O-ethyl 5-O-propan-2-yl 2,6-dimethyl-4-quinolin-8-yl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is OYEWGJKVBVJLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-6-28-22(26)18-14(4)25-15(5)19(23(27)29-13(2)3)20(18)17-11-7-9-16-10-8-12-24-21(16)17/h7-13,20,25H,6H2,1-5H3.
What are the key properties of 3-O-ethyl 5-O-propan-2-yl 2,6-dimethyl-4-quinolin-8-yl-1,4-dihydropyridine-3,5-dicarboxylate?
3-O-ethyl 5-O-propan-2-yl 2,6-dimethyl-4-quinolin-8-yl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 394.47 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-ethyl 5-O-propan-2-yl 2,6-dimethyl-4-quinolin-8-yl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 10620654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).