(2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide

C24H21F3N2O3 — CID 44620981

About (2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide

(2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide (PubChem CID 44620981) has the molecular formula C24H21F3N2O3 and a molecular weight of 442.44 g/mol. Its IUPAC name is (2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide.

Molecular Properties

• Compound Name: (2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide
• PubChem CID: 44620981
• Molecular Formula: C24H21F3N2O3
• Molecular Weight: 442.44 g/mol
• Exact Mass: 442.15
• IUPAC Name: (2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide
• SMILES: O=C(/C=C1\CC2(CCC2)Oc2cc(C(F)(F)F)ccc21)Nc1ccc2c(c1)NC(=O)CC2
• InChI: InChI=1S/C24H21F3N2O3/c25-24(26,27)16-4-6-18-15(13-23(8-1-9-23)32-20(18)11-16)10-22(31)28-17-5-2-14-3-7-21(30)29-19(14)12-17/h2,4-6,10-12H,1,3,7-9,13H2,(H,28,31)(H,29,30)/b15-10+
• InChIKey: SAPFBECDJNHZSU-XNTDXEJSSA-N
• XLogP: 5.32
• TPSA: 67.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.44
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide?

The IUPAC name of (2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide (CID 44620981) is (2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide.

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

The canonical SMILES for (2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide is O=C(/C=C1\CC2(CCC2)Oc2cc(C(F)(F)F)ccc21)Nc1ccc2c(c1)NC(=O)CC2.

What is the InChIKey of (2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide?

The InChIKey is SAPFBECDJNHZSU-XNTDXEJSSA-N. The full InChI is InChI=1S/C24H21F3N2O3/c25-24(26,27)16-4-6-18-15(13-23(8-1-9-23)32-20(18)11-16)10-22(31)28-17-5-2-14-3-7-21(30)29-19(14)12-17/h2,4-6,10-12H,1,3,7-9,13H2,(H,28,31)(H,29,30)/b15-10+.

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

(2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide has a molecular weight of 442.44 g/mol, XLogP of 5.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclobutane]-4-ylidene]acetamide is sourced from PubChem (CID 44620981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).