2-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-N,N-diethylacetamide

C22H20ClF3N2O3S — CID 11167641

IUPAC2-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc2[nH]c1=O
InChIInChI=1S/C22H20ClF3N2O3S/c1-3-28(4-2)18(30)11-32-20-19(15-10-13(23)6-8-17(15)29)14-9-12(22(24,25)26)5-7-16(14)27-21(20)31/h5-10,29H,3-4,11H2,1-2H3,(H,27,31)
InChIKeyMISZFXOSOGNHMX-UHFFFAOYSA-N
MW484.93 g/mol
LogP5.53
Rot. Bonds6

About 2-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-N,N-diethylacetamide

2-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-N,N-diethylacetamide (PubChem CID 11167641) has the molecular formula C22H20ClF3N2O3S and a molecular weight of 484.93 g/mol. Its IUPAC name is 2-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-N,N-diethylacetamide
PubChem CID11167641
Molecular FormulaC22H20ClF3N2O3S
Molecular Weight484.93 g/mol
Exact Mass484.08
IUPAC Name2-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc2[nH]c1=O
InChIInChI=1S/C22H20ClF3N2O3S/c1-3-28(4-2)18(30)11-32-20-19(15-10-13(23)6-8-17(15)29)14-9-12(22(24,25)26)5-7-16(14)27-21(20)31/h5-10,29H,3-4,11H2,1-2H3,(H,27,31)
InChIKeyMISZFXOSOGNHMX-UHFFFAOYSA-N
XLogP5.53
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.93
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-N,N-diethylacetamide 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 2-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-N,N-diethylacetamide?
The IUPAC name of 2-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-N,N-diethylacetamide (CID 11167641) is 2-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-N,N-diethylacetamide is CCN(CC)C(=O)CSc1c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc2[nH]c1=O.
What is the InChIKey of 2-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-N,N-diethylacetamide?
The InChIKey is MISZFXOSOGNHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N2O3S/c1-3-28(4-2)18(30)11-32-20-19(15-10-13(23)6-8-17(15)29)14-9-12(22(24,25)26)5-7-16(14)27-21(20)31/h5-10,29H,3-4,11H2,1-2H3,(H,27,31).
What are the key properties of 2-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-N,N-diethylacetamide?
2-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-N,N-diethylacetamide has a molecular weight of 484.93 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-chloro-2-hydroxyphenyl)-2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]sulfanyl]-N,N-diethylacetamide is sourced from PubChem (CID 11167641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).