(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-quinolin-5-ylprop-2-enamide

C23H19N3O2S — CID 24594556

About (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-quinolin-5-ylprop-2-enamide

(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-quinolin-5-ylprop-2-enamide (PubChem CID 24594556) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-quinolin-5-ylprop-2-enamide.

Molecular Properties

• Compound Name: (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-quinolin-5-ylprop-2-enamide
• PubChem CID: 24594556
• Molecular Formula: C23H19N3O2S
• Molecular Weight: 401.49 g/mol
• Exact Mass: 401.12
• IUPAC Name: (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-quinolin-5-ylprop-2-enamide
• SMILES: Cc1nc(COc2ccccc2/C=C/C(=O)Nc2cccc3ncccc23)cs1
• InChI: InChI=1S/C23H19N3O2S/c1-16-25-18(15-29-16)14-28-22-10-3-2-6-17(22)11-12-23(27)26-21-9-4-8-20-19(21)7-5-13-24-20/h2-13,15H,14H2,1H3,(H,26,27)/b12-11+
• InChIKey: CIXZDMNOQKNQEA-VAWYXSNFSA-N
• XLogP: 5.23
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	401.49
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-quinolin-5-ylprop-2-enamide?

The IUPAC name of (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-quinolin-5-ylprop-2-enamide (CID 24594556) is (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-quinolin-5-ylprop-2-enamide.

What is the SMILES notation for (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-quinolin-5-ylprop-2-enamide?

The canonical SMILES for (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-quinolin-5-ylprop-2-enamide is Cc1nc(COc2ccccc2/C=C/C(=O)Nc2cccc3ncccc23)cs1.

What is the InChIKey of (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-quinolin-5-ylprop-2-enamide?

The InChIKey is CIXZDMNOQKNQEA-VAWYXSNFSA-N. The full InChI is InChI=1S/C23H19N3O2S/c1-16-25-18(15-29-16)14-28-22-10-3-2-6-17(22)11-12-23(27)26-21-9-4-8-20-19(21)7-5-13-24-20/h2-13,15H,14H2,1H3,(H,26,27)/b12-11+.

What are the key properties of (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-quinolin-5-ylprop-2-enamide?

(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-quinolin-5-ylprop-2-enamide has a molecular weight of 401.49 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-quinolin-5-ylprop-2-enamide is sourced from PubChem (CID 24594556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).