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

C17H15F3N2OS — CID 143934380

IUPAC4-(8-ethyl-7-methoxy-4-methylquinolin-2-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCCc1c(OC)ccc2c(C)cc(-c3csc(C(F)(F)F)n3)nc12
InChIInChI=1S/C17H15F3N2OS/c1-4-10-14(23-3)6-5-11-9(2)7-12(21-15(10)11)13-8-24-16(22-13)17(18,19)20/h5-8H,4H2,1-3H3
InChIKeyRNNNDOMWZGSZNQ-UHFFFAOYSA-N
MW352.38 g/mol
LogP5.26
Rot. Bonds3

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

4-(8-ethyl-7-methoxy-4-methylquinolin-2-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 143934380) has the molecular formula C17H15F3N2OS and a molecular weight of 352.38 g/mol. Its IUPAC name is 4-(8-ethyl-7-methoxy-4-methylquinolin-2-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(8-ethyl-7-methoxy-4-methylquinolin-2-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID143934380
Molecular FormulaC17H15F3N2OS
Molecular Weight352.38 g/mol
Exact Mass352.09
IUPAC Name4-(8-ethyl-7-methoxy-4-methylquinolin-2-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCCc1c(OC)ccc2c(C)cc(-c3csc(C(F)(F)F)n3)nc12
InChIInChI=1S/C17H15F3N2OS/c1-4-10-14(23-3)6-5-11-9(2)7-12(21-15(10)11)13-8-24-16(22-13)17(18,19)20/h5-8H,4H2,1-3H3
InChIKeyRNNNDOMWZGSZNQ-UHFFFAOYSA-N
XLogP5.26
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.38
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-bromo-2-methoxyphenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 116967679
2-(7-methoxy-4,8-dimethylquinolin-2-yl)-1,3-thiazol-4-amine
CID 143844698
4-(7-methoxy-8-methyl-4-propan-2-ylquinolin-2-yl)-2-(2-methylpropyl)-1,3-thiazole
CID 58078434
4-ethyl-2-(trifluoromethyl)-1,3-thiazole
CID 23533400
4-(7-ethyl-4-methylquinolin-2-yl)-2-methyl-1,3-thiazole
CID 143643335
4-(5-bromo-2-methylphenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 116967689
2-ethyl-4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazole
CID 116970066
4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole
CID 116967837
5-ethyl-8-methoxy-2-(trifluoromethyl)quinoline
CID 143627564
4-(4-ethyl-7-methoxyquinolin-2-yl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 70863277
ethane;5-ethyl-8-methoxy-2-(trifluoromethyl)quinoline
CID 143627563
2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole
CID 82094050

Frequently Asked Questions

What is the IUPAC name of 4-(8-ethyl-7-methoxy-4-methylquinolin-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-(8-ethyl-7-methoxy-4-methylquinolin-2-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 143934380) is 4-(8-ethyl-7-methoxy-4-methylquinolin-2-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-(8-ethyl-7-methoxy-4-methylquinolin-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-(8-ethyl-7-methoxy-4-methylquinolin-2-yl)-2-(trifluoromethyl)-1,3-thiazole is CCc1c(OC)ccc2c(C)cc(-c3csc(C(F)(F)F)n3)nc12.
What is the InChIKey of 4-(8-ethyl-7-methoxy-4-methylquinolin-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is RNNNDOMWZGSZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2OS/c1-4-10-14(23-3)6-5-11-9(2)7-12(21-15(10)11)13-8-24-16(22-13)17(18,19)20/h5-8H,4H2,1-3H3.
What are the key properties of 4-(8-ethyl-7-methoxy-4-methylquinolin-2-yl)-2-(trifluoromethyl)-1,3-thiazole?
4-(8-ethyl-7-methoxy-4-methylquinolin-2-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 352.38 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-ethyl-7-methoxy-4-methylquinolin-2-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 143934380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).