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

C23H19F3N2O4 — CID 59150113

IUPAC(2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,3'-oxetane]-4-ylidene]acetamide
SMILESO=C(/C=C1\CC2(COC2)Oc2cc(C(F)(F)F)ccc21)Nc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C23H19F3N2O4/c24-23(25,26)15-3-5-17-14(10-22(11-31-12-22)32-19(17)8-15)7-21(30)27-16-4-1-13-2-6-20(29)28-18(13)9-16/h1,3-5,7-9H,2,6,10-12H2,(H,27,30)(H,28,29)/b14-7+
InChIKeySERGSRIFPLBDMR-VGOFMYFVSA-N
MW444.41 g/mol
LogP4.16
Rot. Bonds2

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

(2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,3'-oxetane]-4-ylidene]acetamide (PubChem CID 59150113) has the molecular formula C23H19F3N2O4 and a molecular weight of 444.41 g/mol. Its IUPAC name is (2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,3'-oxetane]-4-ylidene]acetamide.

Molecular Properties

Compound Name(2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,3'-oxetane]-4-ylidene]acetamide
PubChem CID59150113
Molecular FormulaC23H19F3N2O4
Molecular Weight444.41 g/mol
Exact Mass444.13
IUPAC Name(2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,3'-oxetane]-4-ylidene]acetamide
SMILESO=C(/C=C1\CC2(COC2)Oc2cc(C(F)(F)F)ccc21)Nc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C23H19F3N2O4/c24-23(25,26)15-3-5-17-14(10-22(11-31-12-22)32-19(17)8-15)7-21(30)27-16-4-1-13-2-6-20(29)28-18(13)9-16/h1,3-5,7-9H,2,6,10-12H2,(H,27,30)(H,28,29)/b14-7+
InChIKeySERGSRIFPLBDMR-VGOFMYFVSA-N
XLogP4.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.41
LogP ≤ 54.16
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-2,3'-oxetane]-4-ylidene]acetamide?
The IUPAC name of (2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,3'-oxetane]-4-ylidene]acetamide (CID 59150113) is (2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,3'-oxetane]-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-2,3'-oxetane]-4-ylidene]acetamide?
The canonical SMILES for (2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,3'-oxetane]-4-ylidene]acetamide is O=C(/C=C1\CC2(COC2)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-2,3'-oxetane]-4-ylidene]acetamide?
The InChIKey is SERGSRIFPLBDMR-VGOFMYFVSA-N. The full InChI is InChI=1S/C23H19F3N2O4/c24-23(25,26)15-3-5-17-14(10-22(11-31-12-22)32-19(17)8-15)7-21(30)27-16-4-1-13-2-6-20(29)28-18(13)9-16/h1,3-5,7-9H,2,6,10-12H2,(H,27,30)(H,28,29)/b14-7+.
What are the key properties of (2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,3'-oxetane]-4-ylidene]acetamide?
(2E)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,3'-oxetane]-4-ylidene]acetamide has a molecular weight of 444.41 g/mol, XLogP of 4.16, 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-2,3'-oxetane]-4-ylidene]acetamide is sourced from PubChem (CID 59150113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).