3-O-ethyl 8-O-methyl 4-(2-morpholin-4-ylethylamino)quinoline-3,8-dicarboxylate

C20H25N3O5 — CID 1191454

IUPAC3-O-ethyl 8-O-methyl 4-(2-morpholin-4-ylethylamino)quinoline-3,8-dicarboxylate
SMILESCCOC(=O)c1cnc2c(C(=O)OC)cccc2c1NCCN1CCOCC1
InChIInChI=1S/C20H25N3O5/c1-3-28-20(25)16-13-22-17-14(5-4-6-15(17)19(24)26-2)18(16)21-7-8-23-9-11-27-12-10-23/h4-6,13H,3,7-12H2,1-2H3,(H,21,22)
InChIKeyNFMYGFFUAXHUQF-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.94
Rot. Bonds7

About 3-O-ethyl 8-O-methyl 4-(2-morpholin-4-ylethylamino)quinoline-3,8-dicarboxylate

3-O-ethyl 8-O-methyl 4-(2-morpholin-4-ylethylamino)quinoline-3,8-dicarboxylate (PubChem CID 1191454) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-O-ethyl 8-O-methyl 4-(2-morpholin-4-ylethylamino)quinoline-3,8-dicarboxylate.

Molecular Properties

Compound Name3-O-ethyl 8-O-methyl 4-(2-morpholin-4-ylethylamino)quinoline-3,8-dicarboxylate
PubChem CID1191454
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name3-O-ethyl 8-O-methyl 4-(2-morpholin-4-ylethylamino)quinoline-3,8-dicarboxylate
SMILESCCOC(=O)c1cnc2c(C(=O)OC)cccc2c1NCCN1CCOCC1
InChIInChI=1S/C20H25N3O5/c1-3-28-20(25)16-13-22-17-14(5-4-6-15(17)19(24)26-2)18(16)21-7-8-23-9-11-27-12-10-23/h4-6,13H,3,7-12H2,1-2H3,(H,21,22)
InChIKeyNFMYGFFUAXHUQF-UHFFFAOYSA-N
XLogP1.94
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-O-ethyl 8-O-methyl 4-(2-morpholin-4-ylethylamino)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

Related Compounds

ethyl 7,8-dimethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
CID 1088949
ethyl 7,8-dichloro-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
CID 1187153
ethyl 6-ethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
CID 1188194
ethyl 7,8-dichloro-4-(3-morpholin-4-ylpropylamino)quinoline-3-carboxylate;hydrochloride
CID 2790720
3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate
CID 1191451
ethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate
CID 17121387
3-O-ethyl 8-O-methyl 4-[4-(4-methylpiperidin-1-yl)anilino]quinoline-3,8-dicarboxylate
CID 23904512
3-O-ethyl 8-O-methyl 4-(diethylamino)quinoline-3,8-dicarboxylate
CID 53269421
methyl 2,3-difluorobenzoate;methyl 3-fluoro-2-(2-morpholin-4-ylethylamino)benzoate;2-morpholin-4-ylethanamine
CID 162249282
ethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzoate
CID 108501776
ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109154207
ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate
CID 1181324

Frequently Asked Questions

What is the IUPAC name of 3-O-ethyl 8-O-methyl 4-(2-morpholin-4-ylethylamino)quinoline-3,8-dicarboxylate?
The IUPAC name of 3-O-ethyl 8-O-methyl 4-(2-morpholin-4-ylethylamino)quinoline-3,8-dicarboxylate (CID 1191454) is 3-O-ethyl 8-O-methyl 4-(2-morpholin-4-ylethylamino)quinoline-3,8-dicarboxylate.
What is the SMILES notation for 3-O-ethyl 8-O-methyl 4-(2-morpholin-4-ylethylamino)quinoline-3,8-dicarboxylate?
The canonical SMILES for 3-O-ethyl 8-O-methyl 4-(2-morpholin-4-ylethylamino)quinoline-3,8-dicarboxylate is CCOC(=O)c1cnc2c(C(=O)OC)cccc2c1NCCN1CCOCC1.
What is the InChIKey of 3-O-ethyl 8-O-methyl 4-(2-morpholin-4-ylethylamino)quinoline-3,8-dicarboxylate?
The InChIKey is NFMYGFFUAXHUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-3-28-20(25)16-13-22-17-14(5-4-6-15(17)19(24)26-2)18(16)21-7-8-23-9-11-27-12-10-23/h4-6,13H,3,7-12H2,1-2H3,(H,21,22).
What are the key properties of 3-O-ethyl 8-O-methyl 4-(2-morpholin-4-ylethylamino)quinoline-3,8-dicarboxylate?
3-O-ethyl 8-O-methyl 4-(2-morpholin-4-ylethylamino)quinoline-3,8-dicarboxylate has a molecular weight of 387.44 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-ethyl 8-O-methyl 4-(2-morpholin-4-ylethylamino)quinoline-3,8-dicarboxylate is sourced from PubChem (CID 1191454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).