(Z)-4-(4-methoxyphenyl)-3-phenyl-N-quinolin-8-ylbut-3-enamide

C26H22N2O2 — CID 166440512

IUPAC(Z)-4-(4-methoxyphenyl)-3-phenyl-N-quinolin-8-ylbut-3-enamide
SMILESCOc1ccc(/C=C(/CC(=O)Nc2cccc3cccnc23)c2ccccc2)cc1
InChIInChI=1S/C26H22N2O2/c1-30-23-14-12-19(13-15-23)17-22(20-7-3-2-4-8-20)18-25(29)28-24-11-5-9-21-10-6-16-27-26(21)24/h2-17H,18H2,1H3,(H,28,29)/b22-17-
InChIKeyMJOIBDIWGMGFKA-XLNRJJMWSA-N
MW394.47 g/mol
LogP5.81
Rot. Bonds6

About (Z)-4-(4-methoxyphenyl)-3-phenyl-N-quinolin-8-ylbut-3-enamide

(Z)-4-(4-methoxyphenyl)-3-phenyl-N-quinolin-8-ylbut-3-enamide (PubChem CID 166440512) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is (Z)-4-(4-methoxyphenyl)-3-phenyl-N-quinolin-8-ylbut-3-enamide.

Molecular Properties

Compound Name(Z)-4-(4-methoxyphenyl)-3-phenyl-N-quinolin-8-ylbut-3-enamide
PubChem CID166440512
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC Name(Z)-4-(4-methoxyphenyl)-3-phenyl-N-quinolin-8-ylbut-3-enamide
SMILESCOc1ccc(/C=C(/CC(=O)Nc2cccc3cccnc23)c2ccccc2)cc1
InChIInChI=1S/C26H22N2O2/c1-30-23-14-12-19(13-15-23)17-22(20-7-3-2-4-8-20)18-25(29)28-24-11-5-9-21-10-6-16-27-26(21)24/h2-17H,18H2,1H3,(H,28,29)/b22-17-
InChIKeyMJOIBDIWGMGFKA-XLNRJJMWSA-N
XLogP5.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-4-(4-methoxyphenyl)-3-phenyl-N-quinolin-8-ylbut-3-enamide with MolForge

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Related Compounds

8-[(Z)-2,3-bis(4-methoxyphenyl)prop-2-enyl]quinoline
CID 102359192
N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide
CID 51552903
methyl 3-[[3-oxo-3-(quinolin-8-ylamino)propanoyl]amino]benzoate
CID 108956340
methyl 4-[[3-oxo-3-(quinolin-8-ylamino)propanoyl]amino]benzoate
CID 108956372
4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 952487
N-quinolin-8-ylhex-3-enamide
CID 151663814
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813
3-benzyl-5-(4-methoxyphenyl)-N-quinolin-8-ylpent-4-ynamide
CID 163216169
N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide
CID 108508241
N-[2-(3-methoxyphenyl)ethyl]-N'-quinolin-8-ylpropanediamide
CID 108948737
N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide
CID 108956009
N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108956737

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4-methoxyphenyl)-3-phenyl-N-quinolin-8-ylbut-3-enamide?
The IUPAC name of (Z)-4-(4-methoxyphenyl)-3-phenyl-N-quinolin-8-ylbut-3-enamide (CID 166440512) is (Z)-4-(4-methoxyphenyl)-3-phenyl-N-quinolin-8-ylbut-3-enamide.
What is the SMILES notation for (Z)-4-(4-methoxyphenyl)-3-phenyl-N-quinolin-8-ylbut-3-enamide?
The canonical SMILES for (Z)-4-(4-methoxyphenyl)-3-phenyl-N-quinolin-8-ylbut-3-enamide is COc1ccc(/C=C(/CC(=O)Nc2cccc3cccnc23)c2ccccc2)cc1.
What is the InChIKey of (Z)-4-(4-methoxyphenyl)-3-phenyl-N-quinolin-8-ylbut-3-enamide?
The InChIKey is MJOIBDIWGMGFKA-XLNRJJMWSA-N. The full InChI is InChI=1S/C26H22N2O2/c1-30-23-14-12-19(13-15-23)17-22(20-7-3-2-4-8-20)18-25(29)28-24-11-5-9-21-10-6-16-27-26(21)24/h2-17H,18H2,1H3,(H,28,29)/b22-17-.
What are the key properties of (Z)-4-(4-methoxyphenyl)-3-phenyl-N-quinolin-8-ylbut-3-enamide?
(Z)-4-(4-methoxyphenyl)-3-phenyl-N-quinolin-8-ylbut-3-enamide has a molecular weight of 394.47 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-methoxyphenyl)-3-phenyl-N-quinolin-8-ylbut-3-enamide is sourced from PubChem (CID 166440512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).