europium;4-hydroxy-1-methyl-3-[4-(N-phenylanilino)naphthalene-1-carbonyl]quinolin-2-one;dihydrate

C33H28EuN2O5 — CID 177066179

IUPACeuropium;4-hydroxy-1-methyl-3-[4-(N-phenylanilino)naphthalene-1-carbonyl]quinolin-2-one;dihydrate
SMILESCn1c(=O)c(C(=O)c2ccc(N(c3ccccc3)c3ccccc3)c3ccccc23)c(O)c2ccccc21.O.O.[Eu]
InChIInChI=1S/C33H24N2O3.Eu.2H2O/c1-34-28-19-11-10-18-27(28)32(37)30(33(34)38)31(36)26-20-21-29(25-17-9-8-16-24(25)26)35(22-12-4-2-5-13-22)23-14-6-3-7-15-23;;;/h2-21,37H,1H3;;2*1H2
InChIKeyPYWMCPLYVVKLJN-UHFFFAOYSA-N
MW684.56 g/mol
LogP5.45
Rot. Bonds5

About europium;4-hydroxy-1-methyl-3-[4-(N-phenylanilino)naphthalene-1-carbonyl]quinolin-2-one;dihydrate

europium;4-hydroxy-1-methyl-3-[4-(N-phenylanilino)naphthalene-1-carbonyl]quinolin-2-one;dihydrate (PubChem CID 177066179) has the molecular formula C33H28EuN2O5 and a molecular weight of 684.56 g/mol. Its IUPAC name is europium;4-hydroxy-1-methyl-3-[4-(N-phenylanilino)naphthalene-1-carbonyl]quinolin-2-one;dihydrate.

Molecular Properties

Compound Nameeuropium;4-hydroxy-1-methyl-3-[4-(N-phenylanilino)naphthalene-1-carbonyl]quinolin-2-one;dihydrate
PubChem CID177066179
Molecular FormulaC33H28EuN2O5
Molecular Weight684.56 g/mol
Exact Mass685.12
IUPAC Nameeuropium;4-hydroxy-1-methyl-3-[4-(N-phenylanilino)naphthalene-1-carbonyl]quinolin-2-one;dihydrate
SMILESCn1c(=O)c(C(=O)c2ccc(N(c3ccccc3)c3ccccc3)c3ccccc23)c(O)c2ccccc21.O.O.[Eu]
InChIInChI=1S/C33H24N2O3.Eu.2H2O/c1-34-28-19-11-10-18-27(28)32(37)30(33(34)38)31(36)26-20-21-29(25-17-9-8-16-24(25)26)35(22-12-4-2-5-13-22)23-14-6-3-7-15-23;;;/h2-21,37H,1H3;;2*1H2
InChIKeyPYWMCPLYVVKLJN-UHFFFAOYSA-N
XLogP5.45
TPSA125.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.56
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54676449
4-hydroxy-3-[3-(2-hydroxyphenyl)-3-(N-phenylanilino)propanoyl]-1-methylquinolin-2-one
CID 54697106
4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-1-methylquinolin-2-one
CID 136914834
4-hydroxy-3-(N-hydroxy-C-methylcarbonimidoyl)-1-methylquinolin-2-one
CID 135419029
(2S)-2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]propanoic acid
CID 54681675
4-acetyl-3-hydroxy-1-methylquinolin-2-one
CID 134987022
3-[4-(3,6-ditert-butylcarbazol-9-yl)benzoyl]-4-hydroxy-1-methylquinolin-2-one;diphenylphosphorylbenzene;europium
CID 177065995
ethyl 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54688157
N-[2-(ethylamino)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride
CID 56684063
3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-hydroxy-1-methylquinolin-2-one
CID 135401324
2-[[4-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-4-oxobut-2-en-2-yl]amino]benzoic acid
CID 54704809

Frequently Asked Questions

What is the IUPAC name of europium;4-hydroxy-1-methyl-3-[4-(N-phenylanilino)naphthalene-1-carbonyl]quinolin-2-one;dihydrate?
The IUPAC name of europium;4-hydroxy-1-methyl-3-[4-(N-phenylanilino)naphthalene-1-carbonyl]quinolin-2-one;dihydrate (CID 177066179) is europium;4-hydroxy-1-methyl-3-[4-(N-phenylanilino)naphthalene-1-carbonyl]quinolin-2-one;dihydrate.
What is the SMILES notation for europium;4-hydroxy-1-methyl-3-[4-(N-phenylanilino)naphthalene-1-carbonyl]quinolin-2-one;dihydrate?
The canonical SMILES for europium;4-hydroxy-1-methyl-3-[4-(N-phenylanilino)naphthalene-1-carbonyl]quinolin-2-one;dihydrate is Cn1c(=O)c(C(=O)c2ccc(N(c3ccccc3)c3ccccc3)c3ccccc23)c(O)c2ccccc21.O.O.[Eu].
What is the InChIKey of europium;4-hydroxy-1-methyl-3-[4-(N-phenylanilino)naphthalene-1-carbonyl]quinolin-2-one;dihydrate?
The InChIKey is PYWMCPLYVVKLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2O3.Eu.2H2O/c1-34-28-19-11-10-18-27(28)32(37)30(33(34)38)31(36)26-20-21-29(25-17-9-8-16-24(25)26)35(22-12-4-2-5-13-22)23-14-6-3-7-15-23;;;/h2-21,37H,1H3;;2*1H2.
What are the key properties of europium;4-hydroxy-1-methyl-3-[4-(N-phenylanilino)naphthalene-1-carbonyl]quinolin-2-one;dihydrate?
europium;4-hydroxy-1-methyl-3-[4-(N-phenylanilino)naphthalene-1-carbonyl]quinolin-2-one;dihydrate has a molecular weight of 684.56 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for europium;4-hydroxy-1-methyl-3-[4-(N-phenylanilino)naphthalene-1-carbonyl]quinolin-2-one;dihydrate is sourced from PubChem (CID 177066179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).