diethyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate

C19H25N3O4 — CID 1078338

IUPACdiethyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate
SMILESCCOC(=O)c1ccc2ncc(C(=O)OCC)c(NCCN(C)C)c2c1
InChIInChI=1S/C19H25N3O4/c1-5-25-18(23)13-7-8-16-14(11-13)17(20-9-10-22(3)4)15(12-21-16)19(24)26-6-2/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,20,21)
InChIKeyRCEQZOJLFPGJIV-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.56
Rot. Bonds8

About diethyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate

diethyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate (PubChem CID 1078338) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is diethyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate
PubChem CID1078338
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Namediethyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate
SMILESCCOC(=O)c1ccc2ncc(C(=O)OCC)c(NCCN(C)C)c2c1
InChIInChI=1S/C19H25N3O4/c1-5-25-18(23)13-7-8-16-14(11-13)17(20-9-10-22(3)4)15(12-21-16)19(24)26-6-2/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,20,21)
InChIKeyRCEQZOJLFPGJIV-UHFFFAOYSA-N
XLogP2.56
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-O-ethyl 6-O-methyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate
CID 725474
3-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]propyl-dimethylazanium
CID 3354208
ethyl 4-[3-(dimethylamino)propylamino]-6-phenoxyquinoline-3-carboxylate
CID 172914482
diethyl 4-aminoquinoline-3,6-dicarboxylate
CID 17028175
diethyl 4-(4-anilinoanilino)quinoline-3,6-dicarboxylate
CID 23936289
diethyl 4-(3,5-dichloroanilino)quinoline-3,6-dicarboxylate
CID 23878770
ethyl 6-(6-cyano-3-pyridinyl)-4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate
CID 66716682
ethyl 4-(2,6-dimethylanilino)-6-(dimethylcarbamoyl)quinoline-3-carboxylate
CID 25020285
diethyl 4-(4-propoxyanilino)quinoline-3,6-dicarboxylate
CID 23794912
ethyl 6-ethoxy-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
CID 705522
ethyl 6-bromo-4-[[(2S)-2-hydroxypropyl]amino]quinoline-3-carboxylate
CID 992369
diethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate
CID 43839933

Frequently Asked Questions

What is the IUPAC name of diethyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate?
The IUPAC name of diethyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate (CID 1078338) is diethyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate.
What is the SMILES notation for diethyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate?
The canonical SMILES for diethyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate is CCOC(=O)c1ccc2ncc(C(=O)OCC)c(NCCN(C)C)c2c1.
What is the InChIKey of diethyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate?
The InChIKey is RCEQZOJLFPGJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-5-25-18(23)13-7-8-16-14(11-13)17(20-9-10-22(3)4)15(12-21-16)19(24)26-6-2/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,20,21).
What are the key properties of diethyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate?
diethyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate has a molecular weight of 359.43 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate is sourced from PubChem (CID 1078338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).