4-oxo-2-phenyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide

C20H12F3N3O2S — CID 14140518

IUPAC4-oxo-2-phenyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESO=C(Nc1nccs1)c1c(-c2ccccc2)[nH]c2c(C(F)(F)F)cccc2c1=O
InChIInChI=1S/C20H12F3N3O2S/c21-20(22,23)13-8-4-7-12-16(13)25-15(11-5-2-1-3-6-11)14(17(12)27)18(28)26-19-24-9-10-29-19/h1-10H,(H,25,27)(H,24,26,28)
InChIKeyFSQOEURJLFZICP-UHFFFAOYSA-N
MW415.40 g/mol
LogP4.92
Rot. Bonds3

About 4-oxo-2-phenyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide

4-oxo-2-phenyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide (PubChem CID 14140518) has the molecular formula C20H12F3N3O2S and a molecular weight of 415.40 g/mol. Its IUPAC name is 4-oxo-2-phenyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-oxo-2-phenyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
PubChem CID14140518
Molecular FormulaC20H12F3N3O2S
Molecular Weight415.40 g/mol
Exact Mass415.06
IUPAC Name4-oxo-2-phenyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESO=C(Nc1nccs1)c1c(-c2ccccc2)[nH]c2c(C(F)(F)F)cccc2c1=O
InChIInChI=1S/C20H12F3N3O2S/c21-20(22,23)13-8-4-7-12-16(13)25-15(11-5-2-1-3-6-11)14(17(12)27)18(28)26-19-24-9-10-29-19/h1-10H,(H,25,27)(H,24,26,28)
InChIKeyFSQOEURJLFZICP-UHFFFAOYSA-N
XLogP4.92
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-oxo-2-phenyl-N-(1,3-thiazol-2-yl)-8-(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 4-oxo-2-phenyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 4-oxo-2-phenyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide (CID 14140518) is 4-oxo-2-phenyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-oxo-2-phenyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-oxo-2-phenyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide is O=C(Nc1nccs1)c1c(-c2ccccc2)[nH]c2c(C(F)(F)F)cccc2c1=O.
What is the InChIKey of 4-oxo-2-phenyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The InChIKey is FSQOEURJLFZICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O2S/c21-20(22,23)13-8-4-7-12-16(13)25-15(11-5-2-1-3-6-11)14(17(12)27)18(28)26-19-24-9-10-29-19/h1-10H,(H,25,27)(H,24,26,28).
What are the key properties of 4-oxo-2-phenyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
4-oxo-2-phenyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide has a molecular weight of 415.40 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-phenyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 14140518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).