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

C20H20N2O5 — CID 139234986

IUPACdimethyl 2,6-dimethyl-4-(2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C20H20N2O5/c1-10-15(19(24)26-3)17(16(11(2)21-10)20(25)27-4)13-9-12-7-5-6-8-14(12)22-18(13)23/h5-9,17,21H,1-4H3,(H,22,23)
InChIKeyDCVHYQKOQKMZNE-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.11
Rot. Bonds3

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

dimethyl 2,6-dimethyl-4-(2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 139234986) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is dimethyl 2,6-dimethyl-4-(2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dimethyl-4-(2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID139234986
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Namedimethyl 2,6-dimethyl-4-(2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C20H20N2O5/c1-10-15(19(24)26-3)17(16(11(2)21-10)20(25)27-4)13-9-12-7-5-6-8-14(12)22-18(13)23/h5-9,17,21H,1-4H3,(H,22,23)
InChIKeyDCVHYQKOQKMZNE-UHFFFAOYSA-N
XLogP2.11
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dimethyl-4-(2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-dimethyl-4-(2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate (CID 139234986) is dimethyl 2,6-dimethyl-4-(2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-dimethyl-4-(2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dimethyl-4-(2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate is COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc2ccccc2[nH]c1=O.
What is the InChIKey of dimethyl 2,6-dimethyl-4-(2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is DCVHYQKOQKMZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-10-15(19(24)26-3)17(16(11(2)21-10)20(25)27-4)13-9-12-7-5-6-8-14(12)22-18(13)23/h5-9,17,21H,1-4H3,(H,22,23).
What are the key properties of dimethyl 2,6-dimethyl-4-(2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethyl-4-(2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 368.39 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-dimethyl-4-(2-oxo-1H-quinolin-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 139234986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).