europium;4-hydroxy-7-(N-methylanilino)-1-phenyl-3-(2,2,2-trifluoroacetyl)quinolin-2-one;dihydrate

C24H21EuF3N2O5 — CID 177066372

IUPACeuropium;4-hydroxy-7-(N-methylanilino)-1-phenyl-3-(2,2,2-trifluoroacetyl)quinolin-2-one;dihydrate
SMILESCN(c1ccccc1)c1ccc2c(O)c(C(=O)C(F)(F)F)c(=O)n(-c3ccccc3)c2c1.O.O.[Eu]
InChIInChI=1S/C24H17F3N2O3.Eu.2H2O/c1-28(15-8-4-2-5-9-15)17-12-13-18-19(14-17)29(16-10-6-3-7-11-16)23(32)20(21(18)30)22(31)24(25,26)27;;;/h2-14,30H,1H3;;2*1H2
InChIKeyDBGBOKSXZUZBJD-UHFFFAOYSA-N
MW626.40 g/mol
LogP3.56
Rot. Bonds4

About europium;4-hydroxy-7-(N-methylanilino)-1-phenyl-3-(2,2,2-trifluoroacetyl)quinolin-2-one;dihydrate

europium;4-hydroxy-7-(N-methylanilino)-1-phenyl-3-(2,2,2-trifluoroacetyl)quinolin-2-one;dihydrate (PubChem CID 177066372) has the molecular formula C24H21EuF3N2O5 and a molecular weight of 626.40 g/mol. Its IUPAC name is europium;4-hydroxy-7-(N-methylanilino)-1-phenyl-3-(2,2,2-trifluoroacetyl)quinolin-2-one;dihydrate.

Molecular Properties

Compound Nameeuropium;4-hydroxy-7-(N-methylanilino)-1-phenyl-3-(2,2,2-trifluoroacetyl)quinolin-2-one;dihydrate
PubChem CID177066372
Molecular FormulaC24H21EuF3N2O5
Molecular Weight626.40 g/mol
Exact Mass627.06
IUPAC Nameeuropium;4-hydroxy-7-(N-methylanilino)-1-phenyl-3-(2,2,2-trifluoroacetyl)quinolin-2-one;dihydrate
SMILESCN(c1ccccc1)c1ccc2c(O)c(C(=O)C(F)(F)F)c(=O)n(-c3ccccc3)c2c1.O.O.[Eu]
InChIInChI=1S/C24H17F3N2O3.Eu.2H2O/c1-28(15-8-4-2-5-9-15)17-12-13-18-19(14-17)29(16-10-6-3-7-11-16)23(32)20(21(18)30)22(31)24(25,26)27;;;/h2-14,30H,1H3;;2*1H2
InChIKeyDBGBOKSXZUZBJD-UHFFFAOYSA-N
XLogP3.56
TPSA125.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500626.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-7-(N-methylanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one
CID 167299727
gadolinium;1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one;dihydrate
CID 177066561
4-hydroxy-1-phenyl-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one
CID 166465000
diphenylphosphorylbenzene;europium;1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one;hydrate
CID 177066165
1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one
CID 167299880
4-hydroxy-10,10-dimethyl-1-(4-phenylphenyl)-3-(2,2,2-trifluoroacetyl)indeno[1,2-g]quinolin-2-one
CID 166465024
europium;4-hydroxy-7-(N-phenylanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate
CID 177066602
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 71814744
4-hydroxy-3-(2,2,2-trifluoroacetyl)-1-[4-(trifluoromethyl)phenyl]benzo[h]quinolin-2-one
CID 166464996
N-(3,5-difluorophenyl)-4-hydroxy-7-methoxy-1-(4-methoxyphenyl)-N-methyl-2-oxoquinoline-3-carboxamide
CID 139890824
diphenylphosphorylbenzene;europium;4-hydroxy-1-(4-phenylphenyl)-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]quinolin-2-one
CID 177066294
4-hydroxy-1-methyl-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]quinolin-2-one
CID 166464994

Frequently Asked Questions

What is the IUPAC name of europium;4-hydroxy-7-(N-methylanilino)-1-phenyl-3-(2,2,2-trifluoroacetyl)quinolin-2-one;dihydrate?
The IUPAC name of europium;4-hydroxy-7-(N-methylanilino)-1-phenyl-3-(2,2,2-trifluoroacetyl)quinolin-2-one;dihydrate (CID 177066372) is europium;4-hydroxy-7-(N-methylanilino)-1-phenyl-3-(2,2,2-trifluoroacetyl)quinolin-2-one;dihydrate.
What is the SMILES notation for europium;4-hydroxy-7-(N-methylanilino)-1-phenyl-3-(2,2,2-trifluoroacetyl)quinolin-2-one;dihydrate?
The canonical SMILES for europium;4-hydroxy-7-(N-methylanilino)-1-phenyl-3-(2,2,2-trifluoroacetyl)quinolin-2-one;dihydrate is CN(c1ccccc1)c1ccc2c(O)c(C(=O)C(F)(F)F)c(=O)n(-c3ccccc3)c2c1.O.O.[Eu].
What is the InChIKey of europium;4-hydroxy-7-(N-methylanilino)-1-phenyl-3-(2,2,2-trifluoroacetyl)quinolin-2-one;dihydrate?
The InChIKey is DBGBOKSXZUZBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O3.Eu.2H2O/c1-28(15-8-4-2-5-9-15)17-12-13-18-19(14-17)29(16-10-6-3-7-11-16)23(32)20(21(18)30)22(31)24(25,26)27;;;/h2-14,30H,1H3;;2*1H2.
What are the key properties of europium;4-hydroxy-7-(N-methylanilino)-1-phenyl-3-(2,2,2-trifluoroacetyl)quinolin-2-one;dihydrate?
europium;4-hydroxy-7-(N-methylanilino)-1-phenyl-3-(2,2,2-trifluoroacetyl)quinolin-2-one;dihydrate has a molecular weight of 626.40 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for europium;4-hydroxy-7-(N-methylanilino)-1-phenyl-3-(2,2,2-trifluoroacetyl)quinolin-2-one;dihydrate is sourced from PubChem (CID 177066372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).