ethyl 4-morpholin-4-yl-8-(trifluoromethyl)quinoline-3-carboxylate

C17H17F3N2O3 — CID 1266136

IUPACethyl 4-morpholin-4-yl-8-(trifluoromethyl)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1N1CCOCC1
InChIInChI=1S/C17H17F3N2O3/c1-2-25-16(23)12-10-21-14-11(4-3-5-13(14)17(18,19)20)15(12)22-6-8-24-9-7-22/h3-5,10H,2,6-9H2,1H3
InChIKeyDLKBIJMWBYGBGH-UHFFFAOYSA-N
MW354.33 g/mol
LogP3.27
Rot. Bonds3

About ethyl 4-morpholin-4-yl-8-(trifluoromethyl)quinoline-3-carboxylate

ethyl 4-morpholin-4-yl-8-(trifluoromethyl)quinoline-3-carboxylate (PubChem CID 1266136) has the molecular formula C17H17F3N2O3 and a molecular weight of 354.33 g/mol. Its IUPAC name is ethyl 4-morpholin-4-yl-8-(trifluoromethyl)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-morpholin-4-yl-8-(trifluoromethyl)quinoline-3-carboxylate
PubChem CID1266136
Molecular FormulaC17H17F3N2O3
Molecular Weight354.33 g/mol
Exact Mass354.12
IUPAC Nameethyl 4-morpholin-4-yl-8-(trifluoromethyl)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1N1CCOCC1
InChIInChI=1S/C17H17F3N2O3/c1-2-25-16(23)12-10-21-14-11(4-3-5-13(14)17(18,19)20)15(12)22-6-8-24-9-7-22/h3-5,10H,2,6-9H2,1H3
InChIKeyDLKBIJMWBYGBGH-UHFFFAOYSA-N
XLogP3.27
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-morpholin-4-yl-8-(trifluoromethyl)quinoline-3-carboxylate?
The IUPAC name of ethyl 4-morpholin-4-yl-8-(trifluoromethyl)quinoline-3-carboxylate (CID 1266136) is ethyl 4-morpholin-4-yl-8-(trifluoromethyl)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-morpholin-4-yl-8-(trifluoromethyl)quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-morpholin-4-yl-8-(trifluoromethyl)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1N1CCOCC1.
What is the InChIKey of ethyl 4-morpholin-4-yl-8-(trifluoromethyl)quinoline-3-carboxylate?
The InChIKey is DLKBIJMWBYGBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3/c1-2-25-16(23)12-10-21-14-11(4-3-5-13(14)17(18,19)20)15(12)22-6-8-24-9-7-22/h3-5,10H,2,6-9H2,1H3.
What are the key properties of ethyl 4-morpholin-4-yl-8-(trifluoromethyl)quinoline-3-carboxylate?
ethyl 4-morpholin-4-yl-8-(trifluoromethyl)quinoline-3-carboxylate has a molecular weight of 354.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-morpholin-4-yl-8-(trifluoromethyl)quinoline-3-carboxylate is sourced from PubChem (CID 1266136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).