2-(7-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole

C16H13F3N2OS — CID 70249295

IUPAC2-(7-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCOc1ccc2c(C)cc(-c3nc(C(F)(F)F)cs3)nc2c1C
InChIInChI=1S/C16H13F3N2OS/c1-8-6-11(15-21-13(7-23-15)16(17,18)19)20-14-9(2)12(22-3)5-4-10(8)14/h4-7H,1-3H3
InChIKeyWZTRBLDBWBBPEC-UHFFFAOYSA-N
MW338.35 g/mol
LogP5.00
Rot. Bonds2

About 2-(7-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole

2-(7-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 70249295) has the molecular formula C16H13F3N2OS and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-(7-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(7-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID70249295
Molecular FormulaC16H13F3N2OS
Molecular Weight338.35 g/mol
Exact Mass338.07
IUPAC Name2-(7-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCOc1ccc2c(C)cc(-c3nc(C(F)(F)F)cs3)nc2c1C
InChIInChI=1S/C16H13F3N2OS/c1-8-6-11(15-21-13(7-23-15)16(17,18)19)20-14-9(2)12(22-3)5-4-10(8)14/h4-7H,1-3H3
InChIKeyWZTRBLDBWBBPEC-UHFFFAOYSA-N
XLogP5.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.35
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(7-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole (CID 70249295) is 2-(7-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(7-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(7-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole is COc1ccc2c(C)cc(-c3nc(C(F)(F)F)cs3)nc2c1C.
What is the InChIKey of 2-(7-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is WZTRBLDBWBBPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2OS/c1-8-6-11(15-21-13(7-23-15)16(17,18)19)20-14-9(2)12(22-3)5-4-10(8)14/h4-7H,1-3H3.
What are the key properties of 2-(7-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
2-(7-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 338.35 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-4,8-dimethylquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 70249295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).