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

C26H25F3N2O4 — CID 59150210

IUPAC(2E)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide
SMILESCN1C(=O)CCc2ccc(NC(=O)/C=C3\CC4(CCOCC4)Oc4cc(C(F)(F)F)ccc43)cc21
InChIInChI=1S/C26H25F3N2O4/c1-31-21-14-19(5-2-16(21)3-7-24(31)33)30-23(32)12-17-15-25(8-10-34-11-9-25)35-22-13-18(26(27,28)29)4-6-20(17)22/h2,4-6,12-14H,3,7-11,15H2,1H3,(H,30,32)/b17-12+
InChIKeyLFQQDNZVUZYJCB-SFQUDFHCSA-N
MW486.49 g/mol
LogP4.97
Rot. Bonds2

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

(2E)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide (PubChem CID 59150210) has the molecular formula C26H25F3N2O4 and a molecular weight of 486.49 g/mol. Its IUPAC name is (2E)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide.

Molecular Properties

Compound Name(2E)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide
PubChem CID59150210
Molecular FormulaC26H25F3N2O4
Molecular Weight486.49 g/mol
Exact Mass486.18
IUPAC Name(2E)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide
SMILESCN1C(=O)CCc2ccc(NC(=O)/C=C3\CC4(CCOCC4)Oc4cc(C(F)(F)F)ccc43)cc21
InChIInChI=1S/C26H25F3N2O4/c1-31-21-14-19(5-2-16(21)3-7-24(31)33)30-23(32)12-17-15-25(8-10-34-11-9-25)35-22-13-18(26(27,28)29)4-6-20(17)22/h2,4-6,12-14H,3,7-11,15H2,1H3,(H,30,32)/b17-12+
InChIKeyLFQQDNZVUZYJCB-SFQUDFHCSA-N
XLogP4.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.49
LogP ≤ 54.97
H-Bond Donors ≤ 51
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-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide?
The IUPAC name of (2E)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide (CID 59150210) is (2E)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide.
What is the SMILES notation for (2E)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide?
The canonical SMILES for (2E)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide is CN1C(=O)CCc2ccc(NC(=O)/C=C3\CC4(CCOCC4)Oc4cc(C(F)(F)F)ccc43)cc21.
What is the InChIKey of (2E)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide?
The InChIKey is LFQQDNZVUZYJCB-SFQUDFHCSA-N. The full InChI is InChI=1S/C26H25F3N2O4/c1-31-21-14-19(5-2-16(21)3-7-24(31)33)30-23(32)12-17-15-25(8-10-34-11-9-25)35-22-13-18(26(27,28)29)4-6-20(17)22/h2,4-6,12-14H,3,7-11,15H2,1H3,(H,30,32)/b17-12+.
What are the key properties of (2E)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide?
(2E)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide has a molecular weight of 486.49 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide is sourced from PubChem (CID 59150210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).