3-O-ethyl 8-O-methyl 4-(pyridin-3-ylmethylamino)quinoline-3,8-dicarboxylate

C20H19N3O4 — CID 2190438

IUPAC3-O-ethyl 8-O-methyl 4-(pyridin-3-ylmethylamino)quinoline-3,8-dicarboxylate
SMILESCCOC(=O)c1cnc2c(C(=O)OC)cccc2c1NCc1cccnc1
InChIInChI=1S/C20H19N3O4/c1-3-27-20(25)16-12-23-17-14(7-4-8-15(17)19(24)26-2)18(16)22-11-13-6-5-9-21-10-13/h4-10,12H,3,11H2,1-2H3,(H,22,23)
InChIKeyDLGXOKQNYPYKOE-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.21
Rot. Bonds6

About 3-O-ethyl 8-O-methyl 4-(pyridin-3-ylmethylamino)quinoline-3,8-dicarboxylate

3-O-ethyl 8-O-methyl 4-(pyridin-3-ylmethylamino)quinoline-3,8-dicarboxylate (PubChem CID 2190438) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-O-ethyl 8-O-methyl 4-(pyridin-3-ylmethylamino)quinoline-3,8-dicarboxylate.

Molecular Properties

Compound Name3-O-ethyl 8-O-methyl 4-(pyridin-3-ylmethylamino)quinoline-3,8-dicarboxylate
PubChem CID2190438
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name3-O-ethyl 8-O-methyl 4-(pyridin-3-ylmethylamino)quinoline-3,8-dicarboxylate
SMILESCCOC(=O)c1cnc2c(C(=O)OC)cccc2c1NCc1cccnc1
InChIInChI=1S/C20H19N3O4/c1-3-27-20(25)16-12-23-17-14(7-4-8-15(17)19(24)26-2)18(16)22-11-13-6-5-9-21-10-13/h4-10,12H,3,11H2,1-2H3,(H,22,23)
InChIKeyDLGXOKQNYPYKOE-UHFFFAOYSA-N
XLogP3.21
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-O-ethyl 8-O-methyl 4-(pyridin-3-ylmethylamino)quinoline-3,8-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 3-O-ethyl 8-O-methyl 4-(pyridin-3-ylmethylamino)quinoline-3,8-dicarboxylate?
The IUPAC name of 3-O-ethyl 8-O-methyl 4-(pyridin-3-ylmethylamino)quinoline-3,8-dicarboxylate (CID 2190438) is 3-O-ethyl 8-O-methyl 4-(pyridin-3-ylmethylamino)quinoline-3,8-dicarboxylate.
What is the SMILES notation for 3-O-ethyl 8-O-methyl 4-(pyridin-3-ylmethylamino)quinoline-3,8-dicarboxylate?
The canonical SMILES for 3-O-ethyl 8-O-methyl 4-(pyridin-3-ylmethylamino)quinoline-3,8-dicarboxylate is CCOC(=O)c1cnc2c(C(=O)OC)cccc2c1NCc1cccnc1.
What is the InChIKey of 3-O-ethyl 8-O-methyl 4-(pyridin-3-ylmethylamino)quinoline-3,8-dicarboxylate?
The InChIKey is DLGXOKQNYPYKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-3-27-20(25)16-12-23-17-14(7-4-8-15(17)19(24)26-2)18(16)22-11-13-6-5-9-21-10-13/h4-10,12H,3,11H2,1-2H3,(H,22,23).
What are the key properties of 3-O-ethyl 8-O-methyl 4-(pyridin-3-ylmethylamino)quinoline-3,8-dicarboxylate?
3-O-ethyl 8-O-methyl 4-(pyridin-3-ylmethylamino)quinoline-3,8-dicarboxylate has a molecular weight of 365.39 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-ethyl 8-O-methyl 4-(pyridin-3-ylmethylamino)quinoline-3,8-dicarboxylate is sourced from PubChem (CID 2190438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).