(3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methylquinolin-2-one

C26H18FN3O2S — CID 156580113

IUPAC(3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methylquinolin-2-one
SMILESCc1ccc2c(c1)=C/C(=C/c1s/c(=N\c3ccccc3)n(-c3ccc(F)cc3)c1O)C(=O)N=2
InChIInChI=1S/C26H18FN3O2S/c1-16-7-12-22-17(13-16)14-18(24(31)29-22)15-23-25(32)30(21-10-8-19(27)9-11-21)26(33-23)28-20-5-3-2-4-6-20/h2-15,32H,1H3/b18-15-,28-26-
InChIKeyHVONPQWWQPKDCO-ZWQJWYRFSA-N
MW455.51 g/mol
LogP3.95
Rot. Bonds3

About (3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methylquinolin-2-one

(3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methylquinolin-2-one (PubChem CID 156580113) has the molecular formula C26H18FN3O2S and a molecular weight of 455.51 g/mol. Its IUPAC name is (3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methylquinolin-2-one.

Molecular Properties

Compound Name(3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methylquinolin-2-one
PubChem CID156580113
Molecular FormulaC26H18FN3O2S
Molecular Weight455.51 g/mol
Exact Mass455.11
IUPAC Name(3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methylquinolin-2-one
SMILESCc1ccc2c(c1)=C/C(=C/c1s/c(=N\c3ccccc3)n(-c3ccc(F)cc3)c1O)C(=O)N=2
InChIInChI=1S/C26H18FN3O2S/c1-16-7-12-22-17(13-16)14-18(24(31)29-22)15-23-25(32)30(21-10-8-19(27)9-11-21)26(33-23)28-20-5-3-2-4-6-20/h2-15,32H,1H3/b18-15-,28-26-
InChIKeyHVONPQWWQPKDCO-ZWQJWYRFSA-N
XLogP3.95
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-3-[4-oxo-3-phenyl-2-(phenylimino)-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one
CID 1224703
(3Z)-5-chloro-3-[(2Z)-4-oxo-3-phenyl-2-(phenylimino)-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one
CID 1239650
5-Fluoro-3-[2-(3-fluorophenyl)imino-4-hydroxy-3-methyl-1,3-thiazol-5-yl]indol-2-one
CID 172451078
(3E)-5-fluoro-3-[(2Z)-4-oxo-3-phenyl-2-(phenylimino)-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one
CID 4026100
6-Fluoro-3-(Z-(Z-4-oxo-2-phenylimino-3-propylthiazolidin-5-ylidene)methyl)-quinoline-2(1H)-one
CID 156580049
3-(z-(z-3-(4-Fluorophenyl)-4-oxo-2-(phenylimino)thiazolidin-5-ylidene)methyl)-6-chloro-quinolin-2(1h)-one
CID 156580114
3-(z-(z-3-(4-Fluorophenyl)-4-oxo-2-(phenylimino)thiazolidin-5-ylidene)methyl)-6-bromo-quinolin-2(1h)-one
CID 156580116
3-(z-(z-3-(4-Fluorophenyl)-4-oxo-2-(phenylimino)thiazolidin-5-ylidene)methyl)-6-fluoro-quinolin-2(1h)-one
CID 156580132
3-(z-(z-3-Benzyl-4-oxo-2-(phenylimino)thiazolidin-5-ylidene)methyl)-6-fluoro-quinolin-2(1h)-one
CID 156580144
3-(z-(z-3-(4-Fluorophenyl)-4-oxo-2-(phenylimino)thiazolidin-5-ylidene)methyl)-6-methoxyquinolin-2(1h)-one
CID 156580153
3-{3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}-5-fluoro-1,3-dihydro-2H-indol-2-one
CID 1750002
7-Fluoro-3-(4-hydroxy-3-phenyl-2-phenylimino-1,3-thiazol-5-yl)indol-2-one
CID 176167198

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methylquinolin-2-one?
The IUPAC name of (3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methylquinolin-2-one (CID 156580113) is (3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methylquinolin-2-one.
What is the SMILES notation for (3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methylquinolin-2-one?
The canonical SMILES for (3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methylquinolin-2-one is Cc1ccc2c(c1)=C/C(=C/c1s/c(=N\c3ccccc3)n(-c3ccc(F)cc3)c1O)C(=O)N=2.
What is the InChIKey of (3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methylquinolin-2-one?
The InChIKey is HVONPQWWQPKDCO-ZWQJWYRFSA-N. The full InChI is InChI=1S/C26H18FN3O2S/c1-16-7-12-22-17(13-16)14-18(24(31)29-22)15-23-25(32)30(21-10-8-19(27)9-11-21)26(33-23)28-20-5-3-2-4-6-20/h2-15,32H,1H3/b18-15-,28-26-.
What are the key properties of (3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methylquinolin-2-one?
(3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methylquinolin-2-one has a molecular weight of 455.51 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methylquinolin-2-one is sourced from PubChem (CID 156580113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).