4-(5-chloro-2-hydroxyphenyl)-3-[2-hydroxy-3-(1,3-thiazolidin-3-yl)propyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one

C22H20ClF3N2O3S2 — CID 11156597

IUPAC4-(5-chloro-2-hydroxyphenyl)-3-[2-hydroxy-3-(1,3-thiazolidin-3-yl)propyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1SCC(O)CN1CCSC1
InChIInChI=1S/C22H20ClF3N2O3S2/c23-13-2-4-18(30)16(8-13)19-15-7-12(22(24,25)26)1-3-17(15)27-21(31)20(19)33-10-14(29)9-28-5-6-32-11-28/h1-4,7-8,14,29-30H,5-6,9-11H2,(H,27,31)
InChIKeyIMVDYCYZIQQLBQ-UHFFFAOYSA-N
MW516.99 g/mol
LogP5.03
Rot. Bonds6

About 4-(5-chloro-2-hydroxyphenyl)-3-[2-hydroxy-3-(1,3-thiazolidin-3-yl)propyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one

4-(5-chloro-2-hydroxyphenyl)-3-[2-hydroxy-3-(1,3-thiazolidin-3-yl)propyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 11156597) has the molecular formula C22H20ClF3N2O3S2 and a molecular weight of 516.99 g/mol. Its IUPAC name is 4-(5-chloro-2-hydroxyphenyl)-3-[2-hydroxy-3-(1,3-thiazolidin-3-yl)propyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(5-chloro-2-hydroxyphenyl)-3-[2-hydroxy-3-(1,3-thiazolidin-3-yl)propyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID11156597
Molecular FormulaC22H20ClF3N2O3S2
Molecular Weight516.99 g/mol
Exact Mass516.06
IUPAC Name4-(5-chloro-2-hydroxyphenyl)-3-[2-hydroxy-3-(1,3-thiazolidin-3-yl)propyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1SCC(O)CN1CCSC1
InChIInChI=1S/C22H20ClF3N2O3S2/c23-13-2-4-18(30)16(8-13)19-15-7-12(22(24,25)26)1-3-17(15)27-21(31)20(19)33-10-14(29)9-28-5-6-32-11-28/h1-4,7-8,14,29-30H,5-6,9-11H2,(H,27,31)
InChIKeyIMVDYCYZIQQLBQ-UHFFFAOYSA-N
XLogP5.03
TPSA76.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.99
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(5-chloro-2-hydroxyphenyl)-3-[2-hydroxy-3-(1,3-thiazolidin-3-yl)propyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one 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-(5-chloro-2-hydroxyphenyl)-3-[2-hydroxy-3-(1,3-thiazolidin-3-yl)propyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 4-(5-chloro-2-hydroxyphenyl)-3-[2-hydroxy-3-(1,3-thiazolidin-3-yl)propyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one (CID 11156597) is 4-(5-chloro-2-hydroxyphenyl)-3-[2-hydroxy-3-(1,3-thiazolidin-3-yl)propyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-(5-chloro-2-hydroxyphenyl)-3-[2-hydroxy-3-(1,3-thiazolidin-3-yl)propyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 4-(5-chloro-2-hydroxyphenyl)-3-[2-hydroxy-3-(1,3-thiazolidin-3-yl)propyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one is O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1SCC(O)CN1CCSC1.
What is the InChIKey of 4-(5-chloro-2-hydroxyphenyl)-3-[2-hydroxy-3-(1,3-thiazolidin-3-yl)propyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is IMVDYCYZIQQLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N2O3S2/c23-13-2-4-18(30)16(8-13)19-15-7-12(22(24,25)26)1-3-17(15)27-21(31)20(19)33-10-14(29)9-28-5-6-32-11-28/h1-4,7-8,14,29-30H,5-6,9-11H2,(H,27,31).
What are the key properties of 4-(5-chloro-2-hydroxyphenyl)-3-[2-hydroxy-3-(1,3-thiazolidin-3-yl)propyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one?
4-(5-chloro-2-hydroxyphenyl)-3-[2-hydroxy-3-(1,3-thiazolidin-3-yl)propyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 516.99 g/mol, XLogP of 5.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-hydroxyphenyl)-3-[2-hydroxy-3-(1,3-thiazolidin-3-yl)propyl]sulfanyl-6-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 11156597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).