(2E)-2-[2,2-diethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)acetamide;(2E)-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide;(2E)-N-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-5-yl)-2-[8-(trifluoromethyl)-3,4-dihydro-1H-2-benzoxepin-5-ylidene]acetamide

C73H73F9N8O10S — CID 159273723

About (2E)-2-[2,2-diethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)acetamide;(2E)-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide;(2E)-N-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-5-yl)-2-[8-(trifluoromethyl)-3,4-dihydro-1H-2-benzoxepin-5-ylidene]acetamide

(2E)-2-[2,2-diethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)acetamide;(2E)-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide;(2E)-N-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-5-yl)-2-[8-(trifluoromethyl)-3,4-dihydro-1H-2-benzoxepin-5-ylidene]acetamide (PubChem CID 159273723) has the molecular formula C73H73F9N8O10S and a molecular weight of 1425.48 g/mol. Its IUPAC name is (2E)-2-[2,2-diethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)acetamide;(2E)-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide;(2E)-N-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-5-yl)-2-[8-(trifluoromethyl)-3,4-dihydro-1H-2-benzoxepin-5-ylidene]acetamide.

Molecular Properties

• Compound Name: (2E)-2-[2,2-diethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)acetamide;(2E)-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide;(2E)-N-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-5-yl)-2-[8-(trifluoromethyl)-3,4-dihydro-1H-2-benzoxepin-5-ylidene]acetamide
• PubChem CID: 159273723
• Molecular Formula: C73H73F9N8O10S
• Molecular Weight: 1425.48 g/mol
• Exact Mass: 1424.50
• IUPAC Name: (2E)-2-[2,2-diethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)acetamide;(2E)-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide;(2E)-N-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-5-yl)-2-[8-(trifluoromethyl)-3,4-dihydro-1H-2-benzoxepin-5-ylidene]acetamide
• SMILES: CCN1Cc2c(NC(=O)/C=C3\CC(CC)(CC)Oc4cc(C(F)(F)F)ccc43)cccc2NC1=O.CCN1Cc2c(NC(=O)/C=C3\CC4(CCC4)Oc4cc(C(F)(F)F)ccc43)cccc2NC1=O.CN1c2cccc(NC(=O)/C=C3\CCOCc4cc(C(F)(F)F)ccc43)c2CCS1(=O)=O
• InChI: InChI=1S/C26H28F3N3O3.C25H24F3N3O3.C22H21F3N2O4S/c1-4-25(5-2)14-16(18-11-10-17(26(27,28)29)13-22(18)35-25)12-23(33)30-20-8-7-9-21-19(20)15-32(6-3)24(34)31-21;1-2-31-14-18-19(5-3-6-20(18)30-23(31)33)29-22(32)11-15-13-24(9-4-10-24)34-21-12-16(25(26,27)28)7-8-17(15)21;1-27-20-4-2-3-19(18(20)8-10-32(27,29)30)26-21(28)12-14-7-9-31-13-15-11-16(22(23,24)25)5-6-17(14)15/h7-13H,4-6,14-15H2,1-3H3,(H,30,33)(H,31,34);3,5-8,11-12H,2,4,9-10,13-14H2,1H3,(H,29,32)(H,30,33);2-6,11-12H,7-10,13H2,1H3,(H,26,28)/b16-12+;15-11+;14-12+
• InChIKey: KYALHGNIKVEUNL-UCIOMGEMSA-N
• XLogP: 16.21
• TPSA: 217.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1425.48
LogP ≤ 5	16.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

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-diethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)acetamide;(2E)-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide;(2E)-N-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-5-yl)-2-[8-(trifluoromethyl)-3,4-dihydro-1H-2-benzoxepin-5-ylidene]acetamide?

The IUPAC name of (2E)-2-[2,2-diethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)acetamide;(2E)-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide;(2E)-N-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-5-yl)-2-[8-(trifluoromethyl)-3,4-dihydro-1H-2-benzoxepin-5-ylidene]acetamide (CID 159273723) is (2E)-2-[2,2-diethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)acetamide;(2E)-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide;(2E)-N-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-5-yl)-2-[8-(trifluoromethyl)-3,4-dihydro-1H-2-benzoxepin-5-ylidene]acetamide.

What is the SMILES notation for (2E)-2-[2,2-diethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)acetamide;(2E)-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide;(2E)-N-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-5-yl)-2-[8-(trifluoromethyl)-3,4-dihydro-1H-2-benzoxepin-5-ylidene]acetamide?

The canonical SMILES for (2E)-2-[2,2-diethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)acetamide;(2E)-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide;(2E)-N-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-5-yl)-2-[8-(trifluoromethyl)-3,4-dihydro-1H-2-benzoxepin-5-ylidene]acetamide is CCN1Cc2c(NC(=O)/C=C3\CC(CC)(CC)Oc4cc(C(F)(F)F)ccc43)cccc2NC1=O.CCN1Cc2c(NC(=O)/C=C3\CC4(CCC4)Oc4cc(C(F)(F)F)ccc43)cccc2NC1=O.CN1c2cccc(NC(=O)/C=C3\CCOCc4cc(C(F)(F)F)ccc43)c2CCS1(=O)=O.

What is the InChIKey of (2E)-2-[2,2-diethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)acetamide;(2E)-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide;(2E)-N-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-5-yl)-2-[8-(trifluoromethyl)-3,4-dihydro-1H-2-benzoxepin-5-ylidene]acetamide?

The InChIKey is KYALHGNIKVEUNL-UCIOMGEMSA-N. The full InChI is InChI=1S/C26H28F3N3O3.C25H24F3N3O3.C22H21F3N2O4S/c1-4-25(5-2)14-16(18-11-10-17(26(27,28)29)13-22(18)35-25)12-23(33)30-20-8-7-9-21-19(20)15-32(6-3)24(34)31-21;1-2-31-14-18-19(5-3-6-20(18)30-23(31)33)29-22(32)11-15-13-24(9-4-10-24)34-21-12-16(25(26,27)28)7-8-17(15)21;1-27-20-4-2-3-19(18(20)8-10-32(27,29)30)26-21(28)12-14-7-9-31-13-15-11-16(22(23,24)25)5-6-17(14)15/h7-13H,4-6,14-15H2,1-3H3,(H,30,33)(H,31,34);3,5-8,11-12H,2,4,9-10,13-14H2,1H3,(H,29,32)(H,30,33);2-6,11-12H,7-10,13H2,1H3,(H,26,28)/b16-12+;15-11+;14-12+.

What are the key properties of (2E)-2-[2,2-diethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)acetamide;(2E)-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide;(2E)-N-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-5-yl)-2-[8-(trifluoromethyl)-3,4-dihydro-1H-2-benzoxepin-5-ylidene]acetamide?

(2E)-2-[2,2-diethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)acetamide;(2E)-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide;(2E)-N-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-5-yl)-2-[8-(trifluoromethyl)-3,4-dihydro-1H-2-benzoxepin-5-ylidene]acetamide has a molecular weight of 1425.48 g/mol, XLogP of 16.21, 10 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-2-[2,2-diethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)acetamide;(2E)-N-(3-ethyl-2-oxo-1,4-dihydroquinazolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide;(2E)-N-(1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-5-yl)-2-[8-(trifluoromethyl)-3,4-dihydro-1H-2-benzoxepin-5-ylidene]acetamide is sourced from PubChem (CID 159273723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).