(7Z)-7-[[3-(4-fluorophenyl)-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]-[1,3]dioxolo[4,5-g]quinolin-6-one

C20H11FN2O5S — CID 136663166

IUPAC(7Z)-7-[[3-(4-fluorophenyl)-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESO=C1N=c2cc3c(cc2=C/C1=C/c1sc(=O)n(-c2ccc(F)cc2)c1O)OCO3
InChIInChI=1S/C20H11FN2O5S/c21-12-1-3-13(4-2-12)23-19(25)17(29-20(23)26)7-11-5-10-6-15-16(28-9-27-15)8-14(10)22-18(11)24/h1-8,25H,9H2/b11-7-
InChIKeyIUUROMWWEUJGJM-XFFZJAGNSA-N
MW410.38 g/mol
LogP1.50
Rot. Bonds2

About (7Z)-7-[[3-(4-fluorophenyl)-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]-[1,3]dioxolo[4,5-g]quinolin-6-one

(7Z)-7-[[3-(4-fluorophenyl)-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 136663166) has the molecular formula C20H11FN2O5S and a molecular weight of 410.38 g/mol. Its IUPAC name is (7Z)-7-[[3-(4-fluorophenyl)-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name(7Z)-7-[[3-(4-fluorophenyl)-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID136663166
Molecular FormulaC20H11FN2O5S
Molecular Weight410.38 g/mol
Exact Mass410.04
IUPAC Name(7Z)-7-[[3-(4-fluorophenyl)-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESO=C1N=c2cc3c(cc2=C/C1=C/c1sc(=O)n(-c2ccc(F)cc2)c1O)OCO3
InChIInChI=1S/C20H11FN2O5S/c21-12-1-3-13(4-2-12)23-19(25)17(29-20(23)26)7-11-5-10-6-15-16(28-9-27-15)8-14(10)22-18(11)24/h1-8,25H,9H2/b11-7-
InChIKeyIUUROMWWEUJGJM-XFFZJAGNSA-N
XLogP1.50
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7Z)-7-[[3-(4-fluorophenyl)-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of (7Z)-7-[[3-(4-fluorophenyl)-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 136663166) is (7Z)-7-[[3-(4-fluorophenyl)-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for (7Z)-7-[[3-(4-fluorophenyl)-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for (7Z)-7-[[3-(4-fluorophenyl)-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]-[1,3]dioxolo[4,5-g]quinolin-6-one is O=C1N=c2cc3c(cc2=C/C1=C/c1sc(=O)n(-c2ccc(F)cc2)c1O)OCO3.
What is the InChIKey of (7Z)-7-[[3-(4-fluorophenyl)-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is IUUROMWWEUJGJM-XFFZJAGNSA-N. The full InChI is InChI=1S/C20H11FN2O5S/c21-12-1-3-13(4-2-12)23-19(25)17(29-20(23)26)7-11-5-10-6-15-16(28-9-27-15)8-14(10)22-18(11)24/h1-8,25H,9H2/b11-7-.
What are the key properties of (7Z)-7-[[3-(4-fluorophenyl)-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]-[1,3]dioxolo[4,5-g]quinolin-6-one?
(7Z)-7-[[3-(4-fluorophenyl)-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 410.38 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-[[3-(4-fluorophenyl)-4-hydroxy-2-oxo-1,3-thiazol-5-yl]methylidene]-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 136663166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).