6-(2,3-dihydrofuran-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide

C21H17F3N2O3S — CID 70649599

IUPAC6-(2,3-dihydrofuran-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
SMILESCOc1cc(C(=O)NCc2cccs2)nc2c(C(F)(F)F)cc(C3C=COC3)cc12
InChIInChI=1S/C21H17F3N2O3S/c1-28-18-9-17(20(27)25-10-14-3-2-6-30-14)26-19-15(18)7-13(12-4-5-29-11-12)8-16(19)21(22,23)24/h2-9,12H,10-11H2,1H3,(H,25,27)
InChIKeyCAYMDAPEQAUNBK-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.88
Rot. Bonds5

About 6-(2,3-dihydrofuran-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide

6-(2,3-dihydrofuran-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide (PubChem CID 70649599) has the molecular formula C21H17F3N2O3S and a molecular weight of 434.44 g/mol. Its IUPAC name is 6-(2,3-dihydrofuran-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name6-(2,3-dihydrofuran-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
PubChem CID70649599
Molecular FormulaC21H17F3N2O3S
Molecular Weight434.44 g/mol
Exact Mass434.09
IUPAC Name6-(2,3-dihydrofuran-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide
SMILESCOc1cc(C(=O)NCc2cccs2)nc2c(C(F)(F)F)cc(C3C=COC3)cc12
InChIInChI=1S/C21H17F3N2O3S/c1-28-18-9-17(20(27)25-10-14-3-2-6-30-14)26-19-15(18)7-13(12-4-5-29-11-12)8-16(19)21(22,23)24/h2-9,12H,10-11H2,1H3,(H,25,27)
InChIKeyCAYMDAPEQAUNBK-UHFFFAOYSA-N
XLogP4.88
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydrofuran-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide?
The IUPAC name of 6-(2,3-dihydrofuran-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide (CID 70649599) is 6-(2,3-dihydrofuran-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide.
What is the SMILES notation for 6-(2,3-dihydrofuran-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide?
The canonical SMILES for 6-(2,3-dihydrofuran-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide is COc1cc(C(=O)NCc2cccs2)nc2c(C(F)(F)F)cc(C3C=COC3)cc12.
What is the InChIKey of 6-(2,3-dihydrofuran-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide?
The InChIKey is CAYMDAPEQAUNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3S/c1-28-18-9-17(20(27)25-10-14-3-2-6-30-14)26-19-15(18)7-13(12-4-5-29-11-12)8-16(19)21(22,23)24/h2-9,12H,10-11H2,1H3,(H,25,27).
What are the key properties of 6-(2,3-dihydrofuran-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide?
6-(2,3-dihydrofuran-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide has a molecular weight of 434.44 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydrofuran-3-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide is sourced from PubChem (CID 70649599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).