3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-7-(trifluoromethyl)-1H-quinolin-2-one

C18H10F3N3OS — CID 10126343

IUPAC3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-7-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2cc1-c1csc(-c2ccncc2)n1
InChIInChI=1S/C18H10F3N3OS/c19-18(20,21)12-2-1-11-7-13(16(25)23-14(11)8-12)15-9-26-17(24-15)10-3-5-22-6-4-10/h1-9H,(H,23,25)
InChIKeyPNYMCFQCHXFMCI-UHFFFAOYSA-N
MW373.36 g/mol
LogP4.73
Rot. Bonds2

About 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-7-(trifluoromethyl)-1H-quinolin-2-one

3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-7-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 10126343) has the molecular formula C18H10F3N3OS and a molecular weight of 373.36 g/mol. Its IUPAC name is 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-7-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-7-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID10126343
Molecular FormulaC18H10F3N3OS
Molecular Weight373.36 g/mol
Exact Mass373.05
IUPAC Name3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-7-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2cc1-c1csc(-c2ccncc2)n1
InChIInChI=1S/C18H10F3N3OS/c19-18(20,21)12-2-1-11-7-13(16(25)23-14(11)8-12)15-9-26-17(24-15)10-3-5-22-6-4-10/h1-9H,(H,23,25)
InChIKeyPNYMCFQCHXFMCI-UHFFFAOYSA-N
XLogP4.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-7-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-7-(trifluoromethyl)-1H-quinolin-2-one (CID 10126343) is 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-7-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-7-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-7-(trifluoromethyl)-1H-quinolin-2-one is O=c1[nH]c2cc(C(F)(F)F)ccc2cc1-c1csc(-c2ccncc2)n1.
What is the InChIKey of 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-7-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is PNYMCFQCHXFMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N3OS/c19-18(20,21)12-2-1-11-7-13(16(25)23-14(11)8-12)15-9-26-17(24-15)10-3-5-22-6-4-10/h1-9H,(H,23,25).
What are the key properties of 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-7-(trifluoromethyl)-1H-quinolin-2-one?
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-7-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 373.36 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-7-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 10126343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).