N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]quinoline-8-carboxamide

C20H12F3N3O2S — CID 44554953

IUPACN-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]quinoline-8-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2ccc(-c3cccc(OC(F)(F)F)c3)nc12
InChIInChI=1S/C20H12F3N3O2S/c21-20(22,23)28-14-5-1-4-13(11-14)16-8-7-12-3-2-6-15(17(12)25-16)18(27)26-19-24-9-10-29-19/h1-11H,(H,24,26,27)
InChIKeyKOKWGXXWOFYPEG-UHFFFAOYSA-N
MW415.40 g/mol
LogP5.51
Rot. Bonds4

About N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]quinoline-8-carboxamide

N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]quinoline-8-carboxamide (PubChem CID 44554953) has the molecular formula C20H12F3N3O2S and a molecular weight of 415.40 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]quinoline-8-carboxamide
PubChem CID44554953
Molecular FormulaC20H12F3N3O2S
Molecular Weight415.40 g/mol
Exact Mass415.06
IUPAC NameN-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]quinoline-8-carboxamide
SMILESO=C(Nc1nccs1)c1cccc2ccc(-c3cccc(OC(F)(F)F)c3)nc12
InChIInChI=1S/C20H12F3N3O2S/c21-20(22,23)28-14-5-1-4-13(11-14)16-8-7-12-3-2-6-15(17(12)25-16)18(27)26-19-24-9-10-29-19/h1-11H,(H,24,26,27)
InChIKeyKOKWGXXWOFYPEG-UHFFFAOYSA-N
XLogP5.51
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.40
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]quinoline-8-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]quinoline-8-carboxamide (CID 44554953) is N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]quinoline-8-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]quinoline-8-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]quinoline-8-carboxamide is O=C(Nc1nccs1)c1cccc2ccc(-c3cccc(OC(F)(F)F)c3)nc12.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]quinoline-8-carboxamide?
The InChIKey is KOKWGXXWOFYPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O2S/c21-20(22,23)28-14-5-1-4-13(11-14)16-8-7-12-3-2-6-15(17(12)25-16)18(27)26-19-24-9-10-29-19/h1-11H,(H,24,26,27).
What are the key properties of N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]quinoline-8-carboxamide?
N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]quinoline-8-carboxamide has a molecular weight of 415.40 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethoxy)phenyl]quinoline-8-carboxamide is sourced from PubChem (CID 44554953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).