8-chloro-7-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one

C14H8ClF3N2O2S — CID 68791274

IUPAC8-chloro-7-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(-c3csc(C(F)(F)F)n3)[nH]c2c1Cl
InChIInChI=1S/C14H8ClF3N2O2S/c1-22-10-3-2-6-9(21)4-7(19-12(6)11(10)15)8-5-23-13(20-8)14(16,17)18/h2-5H,1H3,(H,19,21)
InChIKeyBEHGBZSIKWTZRR-UHFFFAOYSA-N
MW360.74 g/mol
LogP4.33
Rot. Bonds2

About 8-chloro-7-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one

8-chloro-7-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one (PubChem CID 68791274) has the molecular formula C14H8ClF3N2O2S and a molecular weight of 360.74 g/mol. Its IUPAC name is 8-chloro-7-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one.

Molecular Properties

Compound Name8-chloro-7-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one
PubChem CID68791274
Molecular FormulaC14H8ClF3N2O2S
Molecular Weight360.74 g/mol
Exact Mass359.99
IUPAC Name8-chloro-7-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(-c3csc(C(F)(F)F)n3)[nH]c2c1Cl
InChIInChI=1S/C14H8ClF3N2O2S/c1-22-10-3-2-6-9(21)4-7(19-12(6)11(10)15)8-5-23-13(20-8)14(16,17)18/h2-5H,1H3,(H,19,21)
InChIKeyBEHGBZSIKWTZRR-UHFFFAOYSA-N
XLogP4.33
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.74
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one?
The IUPAC name of 8-chloro-7-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one (CID 68791274) is 8-chloro-7-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one.
What is the SMILES notation for 8-chloro-7-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one?
The canonical SMILES for 8-chloro-7-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one is COc1ccc2c(=O)cc(-c3csc(C(F)(F)F)n3)[nH]c2c1Cl.
What is the InChIKey of 8-chloro-7-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one?
The InChIKey is BEHGBZSIKWTZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O2S/c1-22-10-3-2-6-9(21)4-7(19-12(6)11(10)15)8-5-23-13(20-8)14(16,17)18/h2-5H,1H3,(H,19,21).
What are the key properties of 8-chloro-7-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one?
8-chloro-7-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one has a molecular weight of 360.74 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-methoxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-1H-quinolin-4-one is sourced from PubChem (CID 68791274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).