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

C25H15F2N3O2S — CID 156580132

IUPAC(3Z)-6-fluoro-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]quinolin-2-one
SMILESO=C1N=c2ccc(F)cc2=C/C1=C/c1s/c(=N\c2ccccc2)n(-c2ccc(F)cc2)c1O
InChIInChI=1S/C25H15F2N3O2S/c26-17-6-9-20(10-7-17)30-24(32)22(33-25(30)28-19-4-2-1-3-5-19)14-16-12-15-13-18(27)8-11-21(15)29-23(16)31/h1-14,32H/b16-14-,28-25-
InChIKeyLIHVQRVMGNZWQR-XGRUMZRWSA-N
MW459.48 g/mol
LogP3.78
Rot. Bonds3

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

(3Z)-6-fluoro-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]quinolin-2-one (PubChem CID 156580132) has the molecular formula C25H15F2N3O2S and a molecular weight of 459.48 g/mol. Its IUPAC name is (3Z)-6-fluoro-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]quinolin-2-one.

Molecular Properties

Compound Name(3Z)-6-fluoro-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]quinolin-2-one
PubChem CID156580132
Molecular FormulaC25H15F2N3O2S
Molecular Weight459.48 g/mol
Exact Mass459.09
IUPAC Name(3Z)-6-fluoro-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]quinolin-2-one
SMILESO=C1N=c2ccc(F)cc2=C/C1=C/c1s/c(=N\c2ccccc2)n(-c2ccc(F)cc2)c1O
InChIInChI=1S/C25H15F2N3O2S/c26-17-6-9-20(10-7-17)30-24(32)22(33-25(30)28-19-4-2-1-3-5-19)14-16-12-15-13-18(27)8-11-21(15)29-23(16)31/h1-14,32H/b16-14-,28-25-
InChIKeyLIHVQRVMGNZWQR-XGRUMZRWSA-N
XLogP3.78
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 53.78
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-fluoro-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]quinolin-2-one?
The IUPAC name of (3Z)-6-fluoro-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]quinolin-2-one (CID 156580132) is (3Z)-6-fluoro-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-fluoro-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]quinolin-2-one?
The canonical SMILES for (3Z)-6-fluoro-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]quinolin-2-one is O=C1N=c2ccc(F)cc2=C/C1=C/c1s/c(=N\c2ccccc2)n(-c2ccc(F)cc2)c1O.
What is the InChIKey of (3Z)-6-fluoro-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]quinolin-2-one?
The InChIKey is LIHVQRVMGNZWQR-XGRUMZRWSA-N. The full InChI is InChI=1S/C25H15F2N3O2S/c26-17-6-9-20(10-7-17)30-24(32)22(33-25(30)28-19-4-2-1-3-5-19)14-16-12-15-13-18(27)8-11-21(15)29-23(16)31/h1-14,32H/b16-14-,28-25-.
What are the key properties of (3Z)-6-fluoro-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]quinolin-2-one?
(3Z)-6-fluoro-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]quinolin-2-one has a molecular weight of 459.48 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-fluoro-3-[[3-(4-fluorophenyl)-4-hydroxy-2-phenylimino-1,3-thiazol-5-yl]methylidene]quinolin-2-one is sourced from PubChem (CID 156580132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).