(2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide

C25H25F3N2O5 — CID 59150399

About (2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide

(2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide (PubChem CID 59150399) has the molecular formula C25H25F3N2O5 and a molecular weight of 490.48 g/mol. Its IUPAC name is (2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide.

Molecular Properties

• Compound Name: (2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide
• PubChem CID: 59150399
• Molecular Formula: C25H25F3N2O5
• Molecular Weight: 490.48 g/mol
• Exact Mass: 490.17
• IUPAC Name: (2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide
• SMILES: COCC1(COC)C/C(=C\C(=O)Nc2ccc3c(c2)NC(=O)CC3)c2ccc(C(F)(F)F)cc2O1
• InChI: InChI=1S/C25H25F3N2O5/c1-33-13-24(14-34-2)12-16(19-7-5-17(25(26,27)28)10-21(19)35-24)9-23(32)29-18-6-3-15-4-8-22(31)30-20(15)11-18/h3,5-7,9-11H,4,8,12-14H2,1-2H3,(H,29,32)(H,30,31)/b16-9+
• InChIKey: VGWYRSMPAYXWLA-CXUHLZMHSA-N
• XLogP: 4.43
• TPSA: 85.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.48
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	2
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 (2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide?

The IUPAC name of (2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide (CID 59150399) is (2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide.

What is the SMILES notation for (2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide?

The canonical SMILES for (2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide is COCC1(COC)C/C(=C\C(=O)Nc2ccc3c(c2)NC(=O)CC3)c2ccc(C(F)(F)F)cc2O1.

What is the InChIKey of (2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide?

The InChIKey is VGWYRSMPAYXWLA-CXUHLZMHSA-N. The full InChI is InChI=1S/C25H25F3N2O5/c1-33-13-24(14-34-2)12-16(19-7-5-17(25(26,27)28)10-21(19)35-24)9-23(32)29-18-6-3-15-4-8-22(31)30-20(15)11-18/h3,5-7,9-11H,4,8,12-14H2,1-2H3,(H,29,32)(H,30,31)/b16-9+.

What are the key properties of (2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide?

(2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide has a molecular weight of 490.48 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide is sourced from PubChem (CID 59150399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).