(4E)-4-[[6-methoxy-2-(4-methylphenyl)sulfanylquinolin-3-yl]methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one

C28H22N2O4S — CID 5294619

IUPAC(4E)-4-[[6-methoxy-2-(4-methylphenyl)sulfanylquinolin-3-yl]methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
SMILESCOc1ccc(C2=N/C(=C/c3cc4cc(OC)ccc4nc3Sc3ccc(C)cc3)C(=O)O2)cc1
InChIInChI=1S/C28H22N2O4S/c1-17-4-11-23(12-5-17)35-27-20(14-19-15-22(33-3)10-13-24(19)30-27)16-25-28(31)34-26(29-25)18-6-8-21(32-2)9-7-18/h4-16H,1-3H3/b25-16+
InChIKeyVIKQWFGDXWDVDM-PCLIKHOPSA-N
MW482.56 g/mol
LogP6.06
Rot. Bonds6

About (4E)-4-[[6-methoxy-2-(4-methylphenyl)sulfanylquinolin-3-yl]methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one

(4E)-4-[[6-methoxy-2-(4-methylphenyl)sulfanylquinolin-3-yl]methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one (PubChem CID 5294619) has the molecular formula C28H22N2O4S and a molecular weight of 482.56 g/mol. Its IUPAC name is (4E)-4-[[6-methoxy-2-(4-methylphenyl)sulfanylquinolin-3-yl]methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-4-[[6-methoxy-2-(4-methylphenyl)sulfanylquinolin-3-yl]methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
PubChem CID5294619
Molecular FormulaC28H22N2O4S
Molecular Weight482.56 g/mol
Exact Mass482.13
IUPAC Name(4E)-4-[[6-methoxy-2-(4-methylphenyl)sulfanylquinolin-3-yl]methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
SMILESCOc1ccc(C2=N/C(=C/c3cc4cc(OC)ccc4nc3Sc3ccc(C)cc3)C(=O)O2)cc1
InChIInChI=1S/C28H22N2O4S/c1-17-4-11-23(12-5-17)35-27-20(14-19-15-22(33-3)10-13-24(19)30-27)16-25-28(31)34-26(29-25)18-6-8-21(32-2)9-7-18/h4-16H,1-3H3/b25-16+
InChIKeyVIKQWFGDXWDVDM-PCLIKHOPSA-N
XLogP6.06
TPSA70.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.56
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (4E)-4-[[6-methoxy-2-(4-methylphenyl)sulfanylquinolin-3-yl]methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2,5-dimethoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 822677
(4E)-2-(4-tert-butylphenyl)-4-[[2-(4-chlorophenyl)sulfanyl-7-methylquinolin-3-yl]methylidene]-1,3-oxazol-5-one
CID 17096484
(4Z)-2-(4-methoxyphenyl)-4-[(3-methylphenyl)methylidene]-1,3-oxazol-5-one
CID 9312688
(4Z)-2-(4-methoxyphenyl)-4-[(3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2258676
2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3875763
(4Z)-4-[(3,5-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
CID 6214719
4-[(3,5-dimethoxyphenyl)methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
CID 4816005
(4E)-2-(4-tert-butylphenyl)-4-[[2-(4-chlorophenyl)sulfanyl-8-methylquinolin-3-yl]methylidene]-1,3-oxazol-5-one
CID 17101022
(4E)-4-[(2,5-dimethylphenyl)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one
CID 2687436
2-(4-chlorophenyl)sulfanyl-6-methoxyquinoline-3-carbaldehyde
CID 802094
(4Z)-2-(4-methoxyphenyl)-4-(naphthalen-2-ylmethylidene)-1,3-oxazol-5-one
CID 9312649
(4E)-2-(4-methoxyphenyl)-4-[(2,3,4,5,6-pentafluorophenyl)methylidene]-1,3-oxazol-5-one
CID 20834596

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[[6-methoxy-2-(4-methylphenyl)sulfanylquinolin-3-yl]methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one?
The IUPAC name of (4E)-4-[[6-methoxy-2-(4-methylphenyl)sulfanylquinolin-3-yl]methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one (CID 5294619) is (4E)-4-[[6-methoxy-2-(4-methylphenyl)sulfanylquinolin-3-yl]methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-4-[[6-methoxy-2-(4-methylphenyl)sulfanylquinolin-3-yl]methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one?
The canonical SMILES for (4E)-4-[[6-methoxy-2-(4-methylphenyl)sulfanylquinolin-3-yl]methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one is COc1ccc(C2=N/C(=C/c3cc4cc(OC)ccc4nc3Sc3ccc(C)cc3)C(=O)O2)cc1.
What is the InChIKey of (4E)-4-[[6-methoxy-2-(4-methylphenyl)sulfanylquinolin-3-yl]methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one?
The InChIKey is VIKQWFGDXWDVDM-PCLIKHOPSA-N. The full InChI is InChI=1S/C28H22N2O4S/c1-17-4-11-23(12-5-17)35-27-20(14-19-15-22(33-3)10-13-24(19)30-27)16-25-28(31)34-26(29-25)18-6-8-21(32-2)9-7-18/h4-16H,1-3H3/b25-16+.
What are the key properties of (4E)-4-[[6-methoxy-2-(4-methylphenyl)sulfanylquinolin-3-yl]methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one?
(4E)-4-[[6-methoxy-2-(4-methylphenyl)sulfanylquinolin-3-yl]methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one has a molecular weight of 482.56 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[[6-methoxy-2-(4-methylphenyl)sulfanylquinolin-3-yl]methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 5294619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).