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

C25H15ClFN3O2S — CID 156580114

IUPAC(3Z)-6-chloro-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]quinolin-2-one
SMILESO=C1N=c2ccc(Cl)cc2=C/C1=C/c1s/c(=N\c2ccccc2)n(-c2ccc(F)cc2)c1O
InChIInChI=1S/C25H15ClFN3O2S/c26-17-6-11-21-15(13-17)12-16(23(31)29-21)14-22-24(32)30(20-9-7-18(27)8-10-20)25(33-22)28-19-4-2-1-3-5-19/h1-14,32H/b16-14-,28-25-
InChIKeyUEKMBOKPWFXJGU-XGRUMZRWSA-N
MW475.93 g/mol
LogP4.29
Rot. Bonds3

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

(3Z)-6-chloro-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]quinolin-2-one (PubChem CID 156580114) has the molecular formula C25H15ClFN3O2S and a molecular weight of 475.93 g/mol. Its IUPAC name is (3Z)-6-chloro-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]quinolin-2-one.

Molecular Properties

Compound Name(3Z)-6-chloro-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]quinolin-2-one
PubChem CID156580114
Molecular FormulaC25H15ClFN3O2S
Molecular Weight475.93 g/mol
Exact Mass475.06
IUPAC Name(3Z)-6-chloro-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]quinolin-2-one
SMILESO=C1N=c2ccc(Cl)cc2=C/C1=C/c1s/c(=N\c2ccccc2)n(-c2ccc(F)cc2)c1O
InChIInChI=1S/C25H15ClFN3O2S/c26-17-6-11-21-15(13-17)12-16(23(31)29-21)14-22-24(32)30(20-9-7-18(27)8-10-20)25(33-22)28-19-4-2-1-3-5-19/h1-14,32H/b16-14-,28-25-
InChIKeyUEKMBOKPWFXJGU-XGRUMZRWSA-N
XLogP4.29
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.93
LogP ≤ 54.29
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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Frequently Asked Questions

What is the IUPAC name of (3Z)-6-chloro-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]quinolin-2-one?
The IUPAC name of (3Z)-6-chloro-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]quinolin-2-one (CID 156580114) is (3Z)-6-chloro-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]quinolin-2-one.
What is the SMILES notation for (3Z)-6-chloro-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]quinolin-2-one?
The canonical SMILES for (3Z)-6-chloro-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]quinolin-2-one is O=C1N=c2ccc(Cl)cc2=C/C1=C/c1s/c(=N\c2ccccc2)n(-c2ccc(F)cc2)c1O.
What is the InChIKey of (3Z)-6-chloro-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]quinolin-2-one?
The InChIKey is UEKMBOKPWFXJGU-XGRUMZRWSA-N. The full InChI is InChI=1S/C25H15ClFN3O2S/c26-17-6-11-21-15(13-17)12-16(23(31)29-21)14-22-24(32)30(20-9-7-18(27)8-10-20)25(33-22)28-19-4-2-1-3-5-19/h1-14,32H/b16-14-,28-25-.
What are the key properties of (3Z)-6-chloro-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]quinolin-2-one?
(3Z)-6-chloro-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]quinolin-2-one has a molecular weight of 475.93 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-chloro-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]quinolin-2-one is sourced from PubChem (CID 156580114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).