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

C25H23F3N2O4 — CID 59150198

IUPAC(2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide
SMILESO=C(/C=C1\CC2(CCOCC2)Oc2cc(C(F)(F)F)ccc21)Nc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C25H23F3N2O4/c26-25(27,28)17-3-5-19-16(14-24(34-21(19)12-17)7-9-33-10-8-24)11-23(32)29-18-4-1-15-2-6-22(31)30-20(15)13-18/h1,3-5,11-13H,2,6-10,14H2,(H,29,32)(H,30,31)/b16-11+
InChIKeyFSXZIIPHVGOCLS-LFIBNONCSA-N
MW472.46 g/mol
LogP4.94
Rot. Bonds2

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

(2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide (PubChem CID 59150198) has the molecular formula C25H23F3N2O4 and a molecular weight of 472.46 g/mol. Its IUPAC name is (2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide.

Molecular Properties

Compound Name(2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide
PubChem CID59150198
Molecular FormulaC25H23F3N2O4
Molecular Weight472.46 g/mol
Exact Mass472.16
IUPAC Name(2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide
SMILESO=C(/C=C1\CC2(CCOCC2)Oc2cc(C(F)(F)F)ccc21)Nc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C25H23F3N2O4/c26-25(27,28)17-3-5-19-16(14-24(34-21(19)12-17)7-9-33-10-8-24)11-23(32)29-18-4-1-15-2-6-22(31)30-20(15)13-18/h1,3-5,11-13H,2,6-10,14H2,(H,29,32)(H,30,31)/b16-11+
InChIKeyFSXZIIPHVGOCLS-LFIBNONCSA-N
XLogP4.94
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.46
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-2,4'-oxane]-4-ylidene]acetamide?
The IUPAC name of (2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide (CID 59150198) is (2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-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-2,4'-oxane]-4-ylidene]acetamide?
The canonical SMILES for (2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide is O=C(/C=C1\CC2(CCOCC2)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-2,4'-oxane]-4-ylidene]acetamide?
The InChIKey is FSXZIIPHVGOCLS-LFIBNONCSA-N. The full InChI is InChI=1S/C25H23F3N2O4/c26-25(27,28)17-3-5-19-16(14-24(34-21(19)12-17)7-9-33-10-8-24)11-23(32)29-18-4-1-15-2-6-22(31)30-20(15)13-18/h1,3-5,11-13H,2,6-10,14H2,(H,29,32)(H,30,31)/b16-11+.
What are the key properties of (2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide?
(2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide has a molecular weight of 472.46 g/mol, XLogP of 4.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 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-2,4'-oxane]-4-ylidene]acetamide is sourced from PubChem (CID 59150198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).