dimethyl 2,6-dimethyl-4-quinolin-2-yl-1,4-dihydropyridine-3,5-dicarboxylate

C20H20N2O4 — CID 1481403

IUPACdimethyl 2,6-dimethyl-4-quinolin-2-yl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc2ccccc2n1
InChIInChI=1S/C20H20N2O4/c1-11-16(19(23)25-3)18(17(12(2)21-11)20(24)26-4)15-10-9-13-7-5-6-8-14(13)22-15/h5-10,18,21H,1-4H3
InChIKeyJFZNKYTVPYTPJI-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.82
Rot. Bonds3

About dimethyl 2,6-dimethyl-4-quinolin-2-yl-1,4-dihydropyridine-3,5-dicarboxylate

dimethyl 2,6-dimethyl-4-quinolin-2-yl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 1481403) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is dimethyl 2,6-dimethyl-4-quinolin-2-yl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dimethyl-4-quinolin-2-yl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID1481403
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Namedimethyl 2,6-dimethyl-4-quinolin-2-yl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc2ccccc2n1
InChIInChI=1S/C20H20N2O4/c1-11-16(19(23)25-3)18(17(12(2)21-11)20(24)26-4)15-10-9-13-7-5-6-8-14(13)22-15/h5-10,18,21H,1-4H3
InChIKeyJFZNKYTVPYTPJI-UHFFFAOYSA-N
XLogP2.82
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

Methyl 2-propylquinoline-4-carboxylate
CID 841798
Dimethyl 1,4-dihydro-2,6-dimethyl-4-(2-pyridyl)pyridine-3,5-dicarboxylate
CID 614258
Ethyl 2,7,7-trimethyl-4-(6-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 645197
methyl 2-methyl-4-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 651489
CID 46237979
CID 46237979
CID 46237980
CID 46237980
Ethyl 5-cyano-6-methyl-2-propyl-4-quinolin-4-yl-1,4-dihydropyridine-3-carboxylate
CID 46237981
ethyl (4R)-5-cyano-6-methyl-2-propyl-4-quinolin-4-yl-1,4-dihydropyridine-3-carboxylate
CID 46237983
[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl 2,7,7-trimethyl-5-oxo-4-quinolin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 145979748
Methyl 2-[4-(acetylamino)phenyl]-4-quinolinecarboxylate
CID 705126
Diethyl 2,6-dimethyl-4-(6-methyl-2-pyridyl)-1,4-dihydro-3,5-pyridinedicarboxylate
CID 2729685
6,7-Dimethoxy-1-methyl-4-(quinolin-2-ylmethyl)isoquinolin-3-ol
CID 60164904

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dimethyl-4-quinolin-2-yl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-dimethyl-4-quinolin-2-yl-1,4-dihydropyridine-3,5-dicarboxylate (CID 1481403) is dimethyl 2,6-dimethyl-4-quinolin-2-yl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-dimethyl-4-quinolin-2-yl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dimethyl-4-quinolin-2-yl-1,4-dihydropyridine-3,5-dicarboxylate is COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc2ccccc2n1.
What is the InChIKey of dimethyl 2,6-dimethyl-4-quinolin-2-yl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is JFZNKYTVPYTPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-11-16(19(23)25-3)18(17(12(2)21-11)20(24)26-4)15-10-9-13-7-5-6-8-14(13)22-15/h5-10,18,21H,1-4H3.
What are the key properties of dimethyl 2,6-dimethyl-4-quinolin-2-yl-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethyl-4-quinolin-2-yl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 352.39 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-dimethyl-4-quinolin-2-yl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 1481403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).