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

C15H11F3N2O2S — CID 56605152

IUPAC7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(-c3nc(C(F)(F)F)cs3)[nH]c2c1C
InChIInChI=1S/C15H11F3N2O2S/c1-7-11(22-2)4-3-8-10(21)5-9(19-13(7)8)14-20-12(6-23-14)15(16,17)18/h3-6H,1-2H3,(H,19,21)
InChIKeyJYIHPZBPOPIWPT-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.99
Rot. Bonds2

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

7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one (PubChem CID 56605152) has the molecular formula C15H11F3N2O2S and a molecular weight of 340.33 g/mol. Its IUPAC name is 7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one.

Molecular Properties

Compound Name7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one
PubChem CID56605152
Molecular FormulaC15H11F3N2O2S
Molecular Weight340.33 g/mol
Exact Mass340.05
IUPAC Name7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(-c3nc(C(F)(F)F)cs3)[nH]c2c1C
InChIInChI=1S/C15H11F3N2O2S/c1-7-11(22-2)4-3-8-10(21)5-9(19-13(7)8)14-20-12(6-23-14)15(16,17)18/h3-6H,1-2H3,(H,19,21)
InChIKeyJYIHPZBPOPIWPT-UHFFFAOYSA-N
XLogP3.99
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one?
The IUPAC name of 7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one (CID 56605152) is 7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one.
What is the SMILES notation for 7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one?
The canonical SMILES for 7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one is COc1ccc2c(=O)cc(-c3nc(C(F)(F)F)cs3)[nH]c2c1C.
What is the InChIKey of 7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one?
The InChIKey is JYIHPZBPOPIWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2S/c1-7-11(22-2)4-3-8-10(21)5-9(19-13(7)8)14-20-12(6-23-14)15(16,17)18/h3-6H,1-2H3,(H,19,21).
What are the key properties of 7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one?
7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one has a molecular weight of 340.33 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-8-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1H-quinolin-4-one is sourced from PubChem (CID 56605152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).