(2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)acetamide;(2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)acetamide;(2E)-2-[1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,3'-azetidine]-4-ylidene]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide

C76H76F9N7O13 — CID 158823440

About (2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)acetamide;(2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)acetamide;(2E)-2-[1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,3'-azetidine]-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-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)acetamide;(2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)acetamide;(2E)-2-[1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,3'-azetidine]-4-ylidene]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide (PubChem CID 158823440) has the molecular formula C76H76F9N7O13 and a molecular weight of 1466.46 g/mol. Its IUPAC name is (2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)acetamide;(2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)acetamide;(2E)-2-[1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,3'-azetidine]-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-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)acetamide;(2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)acetamide;(2E)-2-[1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,3'-azetidine]-4-ylidene]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide
• PubChem CID: 158823440
• Molecular Formula: C76H76F9N7O13
• Molecular Weight: 1466.46 g/mol
• Exact Mass: 1465.54
• IUPAC Name: (2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)acetamide;(2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)acetamide;(2E)-2-[1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,3'-azetidine]-4-ylidene]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide
• SMILES: CN1CC2(C/C(=C\C(=O)Nc3ccc4c(c3)NC(=O)CC4)c3ccc(C(F)(F)F)cc3O2)C1.COCC1(COC)C/C(=C\C(=O)Nc2ccc3c(c2)N(C)C(=O)CC3)c2ccc(C(F)(F)F)cc2O1.COCC1(COC)C/C(=C\C(=O)Nc2cccc3c2CCC(=O)N3C)c2ccc(C(F)(F)F)cc2O1
• InChI: InChI=1S/2C26H27F3N2O5.C24H22F3N3O3/c1-31-21-12-19(7-4-16(21)5-9-24(31)33)30-23(32)10-17-13-25(14-34-2,15-35-3)36-22-11-18(26(27,28)29)6-8-20(17)22;1-31-21-6-4-5-20(19(21)9-10-24(31)33)30-23(32)11-16-13-25(14-34-2,15-35-3)36-22-12-17(26(27,28)29)7-8-18(16)22;1-30-12-23(13-30)11-15(18-6-4-16(24(25,26)27)9-20(18)33-23)8-22(32)28-17-5-2-14-3-7-21(31)29-19(14)10-17/h4,6-8,10-12H,5,9,13-15H2,1-3H3,(H,30,32);4-8,11-12H,9-10,13-15H2,1-3H3,(H,30,32);2,4-6,8-10H,3,7,11-13H2,1H3,(H,28,32)(H,29,31)/b17-10+;16-11+;15-8+
• InChIKey: IWDSDYLDCQEXHG-TZIKKAKISA-N
• XLogP: 12.98
• TPSA: 224.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1466.46
LogP ≤ 5	12.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

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-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)acetamide;(2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)acetamide;(2E)-2-[1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,3'-azetidine]-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-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)acetamide;(2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)acetamide;(2E)-2-[1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,3'-azetidine]-4-ylidene]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide (CID 158823440) is (2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)acetamide;(2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)acetamide;(2E)-2-[1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,3'-azetidine]-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-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)acetamide;(2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)acetamide;(2E)-2-[1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,3'-azetidine]-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-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)acetamide;(2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)acetamide;(2E)-2-[1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,3'-azetidine]-4-ylidene]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide is CN1CC2(C/C(=C\C(=O)Nc3ccc4c(c3)NC(=O)CC4)c3ccc(C(F)(F)F)cc3O2)C1.COCC1(COC)C/C(=C\C(=O)Nc2ccc3c(c2)N(C)C(=O)CC3)c2ccc(C(F)(F)F)cc2O1.COCC1(COC)C/C(=C\C(=O)Nc2cccc3c2CCC(=O)N3C)c2ccc(C(F)(F)F)cc2O1.

What is the InChIKey of (2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)acetamide;(2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)acetamide;(2E)-2-[1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,3'-azetidine]-4-ylidene]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide?

The InChIKey is IWDSDYLDCQEXHG-TZIKKAKISA-N. The full InChI is InChI=1S/2C26H27F3N2O5.C24H22F3N3O3/c1-31-21-12-19(7-4-16(21)5-9-24(31)33)30-23(32)10-17-13-25(14-34-2,15-35-3)36-22-11-18(26(27,28)29)6-8-20(17)22;1-31-21-6-4-5-20(19(21)9-10-24(31)33)30-23(32)11-16-13-25(14-34-2,15-35-3)36-22-12-17(26(27,28)29)7-8-18(16)22;1-30-12-23(13-30)11-15(18-6-4-16(24(25,26)27)9-20(18)33-23)8-22(32)28-17-5-2-14-3-7-21(31)29-19(14)10-17/h4,6-8,10-12H,5,9,13-15H2,1-3H3,(H,30,32);4-8,11-12H,9-10,13-15H2,1-3H3,(H,30,32);2,4-6,8-10H,3,7,11-13H2,1H3,(H,28,32)(H,29,31)/b17-10+;16-11+;15-8+.

What are the key properties of (2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)acetamide;(2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)acetamide;(2E)-2-[1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,3'-azetidine]-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-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)acetamide;(2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)acetamide;(2E)-2-[1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,3'-azetidine]-4-ylidene]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide has a molecular weight of 1466.46 g/mol, XLogP of 12.98, 14 rotatable bonds, 4 hydrogen bond donors, and 14 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-(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)acetamide;(2E)-2-[2,2-bis(methoxymethyl)-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)acetamide;(2E)-2-[1'-methyl-7-(trifluoromethyl)spiro[3H-chromene-2,3'-azetidine]-4-ylidene]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide is sourced from PubChem (CID 158823440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).