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

C26H18FN3O3S — CID 156580153

IUPAC(3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methoxyquinolin-2-one
SMILESCOc1ccc2c(c1)=C/C(=C/c1s/c(=N\c3ccccc3)n(-c3ccc(F)cc3)c1O)C(=O)N=2
InChIInChI=1S/C26H18FN3O3S/c1-33-21-11-12-22-16(14-21)13-17(24(31)29-22)15-23-25(32)30(20-9-7-18(27)8-10-20)26(34-23)28-19-5-3-2-4-6-19/h2-15,32H,1H3/b17-15-,28-26-
InChIKeyQQDARKPPIYCKCG-FMFJGZTKSA-N
MW471.51 g/mol
LogP3.65
Rot. Bonds4

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

(3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methoxyquinolin-2-one (PubChem CID 156580153) has the molecular formula C26H18FN3O3S and a molecular weight of 471.51 g/mol. Its IUPAC name is (3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methoxyquinolin-2-one.

Molecular Properties

Compound Name(3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methoxyquinolin-2-one
PubChem CID156580153
Molecular FormulaC26H18FN3O3S
Molecular Weight471.51 g/mol
Exact Mass471.11
IUPAC Name(3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methoxyquinolin-2-one
SMILESCOc1ccc2c(c1)=C/C(=C/c1s/c(=N\c3ccccc3)n(-c3ccc(F)cc3)c1O)C(=O)N=2
InChIInChI=1S/C26H18FN3O3S/c1-33-21-11-12-22-16(14-21)13-17(24(31)29-22)15-23-25(32)30(20-9-7-18(27)8-10-20)26(34-23)28-19-5-3-2-4-6-19/h2-15,32H,1H3/b17-15-,28-26-
InChIKeyQQDARKPPIYCKCG-FMFJGZTKSA-N
XLogP3.65
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 (3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methoxyquinolin-2-one?
The IUPAC name of (3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methoxyquinolin-2-one (CID 156580153) is (3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methoxyquinolin-2-one.
What is the SMILES notation for (3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methoxyquinolin-2-one?
The canonical SMILES for (3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methoxyquinolin-2-one is COc1ccc2c(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-methoxyquinolin-2-one?
The InChIKey is QQDARKPPIYCKCG-FMFJGZTKSA-N. The full InChI is InChI=1S/C26H18FN3O3S/c1-33-21-11-12-22-16(14-21)13-17(24(31)29-22)15-23-25(32)30(20-9-7-18(27)8-10-20)26(34-23)28-19-5-3-2-4-6-19/h2-15,32H,1H3/b17-15-,28-26-.
What are the key properties of (3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methoxyquinolin-2-one?
(3Z)-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]-6-methoxyquinolin-2-one has a molecular weight of 471.51 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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-methoxyquinolin-2-one is sourced from PubChem (CID 156580153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).