ethyl 6-fluoro-4-(2-thiophen-3-ylmorpholin-4-yl)quinoline-3-carboxylate

C20H19FN2O3S — CID 133369054

IUPACethyl 6-fluoro-4-(2-thiophen-3-ylmorpholin-4-yl)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(F)cc2c1N1CCOC(c2ccsc2)C1
InChIInChI=1S/C20H19FN2O3S/c1-2-25-20(24)16-10-22-17-4-3-14(21)9-15(17)19(16)23-6-7-26-18(11-23)13-5-8-27-12-13/h3-5,8-10,12,18H,2,6-7,11H2,1H3
InChIKeyDMTAMLADAGHUEZ-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.19
Rot. Bonds4

About ethyl 6-fluoro-4-(2-thiophen-3-ylmorpholin-4-yl)quinoline-3-carboxylate

ethyl 6-fluoro-4-(2-thiophen-3-ylmorpholin-4-yl)quinoline-3-carboxylate (PubChem CID 133369054) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is ethyl 6-fluoro-4-(2-thiophen-3-ylmorpholin-4-yl)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-4-(2-thiophen-3-ylmorpholin-4-yl)quinoline-3-carboxylate
PubChem CID133369054
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Nameethyl 6-fluoro-4-(2-thiophen-3-ylmorpholin-4-yl)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(F)cc2c1N1CCOC(c2ccsc2)C1
InChIInChI=1S/C20H19FN2O3S/c1-2-25-20(24)16-10-22-17-4-3-14(21)9-15(17)19(16)23-6-7-26-18(11-23)13-5-8-27-12-13/h3-5,8-10,12,18H,2,6-7,11H2,1H3
InChIKeyDMTAMLADAGHUEZ-UHFFFAOYSA-N
XLogP4.19
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 6-fluoro-4-(2-thiophen-3-ylmorpholin-4-yl)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-fluoro-4-(2-thiophen-3-ylmorpholin-4-yl)quinoline-3-carboxylate?
The IUPAC name of ethyl 6-fluoro-4-(2-thiophen-3-ylmorpholin-4-yl)quinoline-3-carboxylate (CID 133369054) is ethyl 6-fluoro-4-(2-thiophen-3-ylmorpholin-4-yl)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-4-(2-thiophen-3-ylmorpholin-4-yl)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-fluoro-4-(2-thiophen-3-ylmorpholin-4-yl)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(F)cc2c1N1CCOC(c2ccsc2)C1.
What is the InChIKey of ethyl 6-fluoro-4-(2-thiophen-3-ylmorpholin-4-yl)quinoline-3-carboxylate?
The InChIKey is DMTAMLADAGHUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-2-25-20(24)16-10-22-17-4-3-14(21)9-15(17)19(16)23-6-7-26-18(11-23)13-5-8-27-12-13/h3-5,8-10,12,18H,2,6-7,11H2,1H3.
What are the key properties of ethyl 6-fluoro-4-(2-thiophen-3-ylmorpholin-4-yl)quinoline-3-carboxylate?
ethyl 6-fluoro-4-(2-thiophen-3-ylmorpholin-4-yl)quinoline-3-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-4-(2-thiophen-3-ylmorpholin-4-yl)quinoline-3-carboxylate is sourced from PubChem (CID 133369054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).