N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide

C25H23F3N2O4 — CID 72529367

IUPACN-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide
SMILESO=C(C=C1CC2(CCOCC2)Oc2cc(C(F)(F)F)ccc21)Nc1cccc2c1CCC(=O)N2
InChIInChI=1S/C25H23F3N2O4/c26-25(27,28)16-4-5-17-15(14-24(34-21(17)13-16)8-10-33-11-9-24)12-23(32)30-20-3-1-2-19-18(20)6-7-22(31)29-19/h1-5,12-13H,6-11,14H2,(H,29,31)(H,30,32)
InChIKeyKKTHIQIYSYVGKM-UHFFFAOYSA-N
MW472.46 g/mol
LogP4.94
Rot. Bonds2

About N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide

N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide (PubChem CID 72529367) has the molecular formula C25H23F3N2O4 and a molecular weight of 472.46 g/mol. Its IUPAC name is N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide.

Molecular Properties

Compound NameN-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide
PubChem CID72529367
Molecular FormulaC25H23F3N2O4
Molecular Weight472.46 g/mol
Exact Mass472.16
IUPAC NameN-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide
SMILESO=C(C=C1CC2(CCOCC2)Oc2cc(C(F)(F)F)ccc21)Nc1cccc2c1CCC(=O)N2
InChIInChI=1S/C25H23F3N2O4/c26-25(27,28)16-4-5-17-15(14-24(34-21(17)13-16)8-10-33-11-9-24)12-23(32)30-20-3-1-2-19-18(20)6-7-22(31)29-19/h1-5,12-13H,6-11,14H2,(H,29,31)(H,30,32)
InChIKeyKKTHIQIYSYVGKM-UHFFFAOYSA-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 N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide?
The IUPAC name of N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide (CID 72529367) is N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide.
What is the SMILES notation for N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide?
The canonical SMILES for N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide is O=C(C=C1CC2(CCOCC2)Oc2cc(C(F)(F)F)ccc21)Nc1cccc2c1CCC(=O)N2.
What is the InChIKey of N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide?
The InChIKey is KKTHIQIYSYVGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O4/c26-25(27,28)16-4-5-17-15(14-24(34-21(17)13-16)8-10-33-11-9-24)12-23(32)30-20-3-1-2-19-18(20)6-7-22(31)29-19/h1-5,12-13H,6-11,14H2,(H,29,31)(H,30,32).
What are the key properties of N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide?
N-(2-oxo-3,4-dihydro-1H-quinolin-5-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 N-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-[7-(trifluoromethyl)spiro[3H-chromene-2,4'-oxane]-4-ylidene]acetamide is sourced from PubChem (CID 72529367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).