ethyl 6-ethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate

C20H27N3O3 — CID 1188194

IUPACethyl 6-ethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(CC)cc2c1NCCN1CCOCC1
InChIInChI=1S/C20H27N3O3/c1-3-15-5-6-18-16(13-15)19(17(14-22-18)20(24)26-4-2)21-7-8-23-9-11-25-12-10-23/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,21,22)
InChIKeyQEEDAYFDSLMXLF-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.72
Rot. Bonds7

About ethyl 6-ethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate

ethyl 6-ethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate (PubChem CID 1188194) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is ethyl 6-ethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
PubChem CID1188194
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Nameethyl 6-ethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(CC)cc2c1NCCN1CCOCC1
InChIInChI=1S/C20H27N3O3/c1-3-15-5-6-18-16(13-15)19(17(14-22-18)20(24)26-4-2)21-7-8-23-9-11-25-12-10-23/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,21,22)
InChIKeyQEEDAYFDSLMXLF-UHFFFAOYSA-N
XLogP2.72
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 6-ethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate 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 ethyl 6-ethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 6-ethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate (CID 1188194) is ethyl 6-ethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-ethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-ethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(CC)cc2c1NCCN1CCOCC1.
What is the InChIKey of ethyl 6-ethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate?
The InChIKey is QEEDAYFDSLMXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-3-15-5-6-18-16(13-15)19(17(14-22-18)20(24)26-4-2)21-7-8-23-9-11-25-12-10-23/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,21,22).
What are the key properties of ethyl 6-ethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate?
ethyl 6-ethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate has a molecular weight of 357.45 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate is sourced from PubChem (CID 1188194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).