6-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide

C15H10F3N3O3S — CID 14140521

IUPAC6-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESCOc1ccc2[nH]c(C(F)(F)F)c(C(=O)Nc3nccs3)c(=O)c2c1
InChIInChI=1S/C15H10F3N3O3S/c1-24-7-2-3-9-8(6-7)11(22)10(12(20-9)15(16,17)18)13(23)21-14-19-4-5-25-14/h2-6H,1H3,(H,20,22)(H,19,21,23)
InChIKeyULFFWOLUINVVIA-UHFFFAOYSA-N
MW369.32 g/mol
LogP3.26
Rot. Bonds3

About 6-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide

6-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide (PubChem CID 14140521) has the molecular formula C15H10F3N3O3S and a molecular weight of 369.32 g/mol. Its IUPAC name is 6-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide
PubChem CID14140521
Molecular FormulaC15H10F3N3O3S
Molecular Weight369.32 g/mol
Exact Mass369.04
IUPAC Name6-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESCOc1ccc2[nH]c(C(F)(F)F)c(C(=O)Nc3nccs3)c(=O)c2c1
InChIInChI=1S/C15H10F3N3O3S/c1-24-7-2-3-9-8(6-7)11(22)10(12(20-9)15(16,17)18)13(23)21-14-19-4-5-25-14/h2-6H,1H3,(H,20,22)(H,19,21,23)
InChIKeyULFFWOLUINVVIA-UHFFFAOYSA-N
XLogP3.26
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide 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 6-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 6-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide (CID 14140521) is 6-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide is COc1ccc2[nH]c(C(F)(F)F)c(C(=O)Nc3nccs3)c(=O)c2c1.
What is the InChIKey of 6-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The InChIKey is ULFFWOLUINVVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O3S/c1-24-7-2-3-9-8(6-7)11(22)10(12(20-9)15(16,17)18)13(23)21-14-19-4-5-25-14/h2-6H,1H3,(H,20,22)(H,19,21,23).
What are the key properties of 6-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide?
6-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide has a molecular weight of 369.32 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-oxo-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 14140521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).