3-(4-oxocinnolin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide

C23H20N4O2S — CID 134015424

IUPAC3-(4-oxocinnolin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)CCn1ncc(=O)c2ccccc21)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H20N4O2S/c1-2-13-26(23-25-19(16-30-23)17-8-4-3-5-9-17)22(29)12-14-27-20-11-7-6-10-18(20)21(28)15-24-27/h2-11,15-16H,1,12-14H2
InChIKeyMGSWTBYLQAALRA-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.13
Rot. Bonds7

About 3-(4-oxocinnolin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide

3-(4-oxocinnolin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide (PubChem CID 134015424) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 3-(4-oxocinnolin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(4-oxocinnolin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide
PubChem CID134015424
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name3-(4-oxocinnolin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)CCn1ncc(=O)c2ccccc21)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H20N4O2S/c1-2-13-26(23-25-19(16-30-23)17-8-4-3-5-9-17)22(29)12-14-27-20-11-7-6-10-18(20)21(28)15-24-27/h2-11,15-16H,1,12-14H2
InChIKeyMGSWTBYLQAALRA-UHFFFAOYSA-N
XLogP4.13
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-oxocinnolin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide?
The IUPAC name of 3-(4-oxocinnolin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide (CID 134015424) is 3-(4-oxocinnolin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(4-oxocinnolin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(4-oxocinnolin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide is C=CCN(C(=O)CCn1ncc(=O)c2ccccc21)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-(4-oxocinnolin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide?
The InChIKey is MGSWTBYLQAALRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-2-13-26(23-25-19(16-30-23)17-8-4-3-5-9-17)22(29)12-14-27-20-11-7-6-10-18(20)21(28)15-24-27/h2-11,15-16H,1,12-14H2.
What are the key properties of 3-(4-oxocinnolin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide?
3-(4-oxocinnolin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide has a molecular weight of 416.51 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxocinnolin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 134015424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).