(5Z)-5-[[7-(trifluoromethyl)furo[3,2-c]quinolin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C16H7F3N2O3S — CID 142717475

IUPAC(5Z)-5-[[7-(trifluoromethyl)furo[3,2-c]quinolin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc3cnc4cc(C(F)(F)F)ccc4c3o2)S1
InChIInChI=1S/C16H7F3N2O3S/c17-16(18,19)8-1-2-10-11(4-8)20-6-7-3-9(24-13(7)10)5-12-14(22)21-15(23)25-12/h1-6H,(H,21,22,23)/b12-5-
InChIKeyWLESKMVQQWCSNV-XGICHPGQSA-N
MW364.30 g/mol
LogP4.32
Rot. Bonds1

About (5Z)-5-[[7-(trifluoromethyl)furo[3,2-c]quinolin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[7-(trifluoromethyl)furo[3,2-c]quinolin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 142717475) has the molecular formula C16H7F3N2O3S and a molecular weight of 364.30 g/mol. Its IUPAC name is (5Z)-5-[[7-(trifluoromethyl)furo[3,2-c]quinolin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[7-(trifluoromethyl)furo[3,2-c]quinolin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID142717475
Molecular FormulaC16H7F3N2O3S
Molecular Weight364.30 g/mol
Exact Mass364.01
IUPAC Name(5Z)-5-[[7-(trifluoromethyl)furo[3,2-c]quinolin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc3cnc4cc(C(F)(F)F)ccc4c3o2)S1
InChIInChI=1S/C16H7F3N2O3S/c17-16(18,19)8-1-2-10-11(4-8)20-6-7-3-9(24-13(7)10)5-12-14(22)21-15(23)25-12/h1-6H,(H,21,22,23)/b12-5-
InChIKeyWLESKMVQQWCSNV-XGICHPGQSA-N
XLogP4.32
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[7-(trifluoromethyl)furo[3,2-c]quinolin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[7-(trifluoromethyl)furo[3,2-c]quinolin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 142717475) is (5Z)-5-[[7-(trifluoromethyl)furo[3,2-c]quinolin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[7-(trifluoromethyl)furo[3,2-c]quinolin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[7-(trifluoromethyl)furo[3,2-c]quinolin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cc3cnc4cc(C(F)(F)F)ccc4c3o2)S1.
What is the InChIKey of (5Z)-5-[[7-(trifluoromethyl)furo[3,2-c]quinolin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is WLESKMVQQWCSNV-XGICHPGQSA-N. The full InChI is InChI=1S/C16H7F3N2O3S/c17-16(18,19)8-1-2-10-11(4-8)20-6-7-3-9(24-13(7)10)5-12-14(22)21-15(23)25-12/h1-6H,(H,21,22,23)/b12-5-.
What are the key properties of (5Z)-5-[[7-(trifluoromethyl)furo[3,2-c]quinolin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[7-(trifluoromethyl)furo[3,2-c]quinolin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 364.30 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[7-(trifluoromethyl)furo[3,2-c]quinolin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 142717475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).