(5E)-3-[(4-fluorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione

C24H23F2N3O2 — CID 50865515

IUPAC(5E)-3-[(4-fluorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
SMILESCC1=CC(C)(C)N(C)c2cc(F)c(/C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)cc21
InChIInChI=1S/C24H23F2N3O2/c1-14-12-24(2,3)28(4)21-11-19(26)16(9-18(14)21)10-20-22(30)29(23(31)27-20)13-15-5-7-17(25)8-6-15/h5-12H,13H2,1-4H3,(H,27,31)/b20-10+
InChIKeyQTCWLSADIFDKFH-KEBDBYFISA-N
MW423.46 g/mol
LogP4.69
Rot. Bonds3

About (5E)-3-[(4-fluorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione

(5E)-3-[(4-fluorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 50865515) has the molecular formula C24H23F2N3O2 and a molecular weight of 423.46 g/mol. Its IUPAC name is (5E)-3-[(4-fluorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-[(4-fluorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
PubChem CID50865515
Molecular FormulaC24H23F2N3O2
Molecular Weight423.46 g/mol
Exact Mass423.18
IUPAC Name(5E)-3-[(4-fluorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
SMILESCC1=CC(C)(C)N(C)c2cc(F)c(/C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)cc21
InChIInChI=1S/C24H23F2N3O2/c1-14-12-24(2,3)28(4)21-11-19(26)16(9-18(14)21)10-20-22(30)29(23(31)27-20)13-15-5-7-17(25)8-6-15/h5-12H,13H2,1-4H3,(H,27,31)/b20-10+
InChIKeyQTCWLSADIFDKFH-KEBDBYFISA-N
XLogP4.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-3-[(2-fluorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50865522
(5E)-3-[(2,4-dichlorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50865627
(5E)-3-[(4-fluorophenyl)methyl]-5-[(1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50864236
(5E)-5-[(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 50865106
(5E)-3-[(4-chlorophenyl)methyl]-5-[(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50869158
(5E)-3-[(3,4-dichlorophenyl)methyl]-5-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50869029
(5E)-3-benzyl-5-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50869901
(5E)-3-[(2-fluorophenyl)methyl]-5-[(2,2,4,7-tetramethyl-1-propylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50869045
2-[(4E)-4-[(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 50869585
(5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 50867817
(5E)-5-[(1-ethyl-7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 50861578
3-[(4-fluorophenyl)methyl]-5-[(2-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 2927735

Frequently Asked Questions

What is the IUPAC name of (5E)-3-[(4-fluorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-[(4-fluorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione (CID 50865515) is (5E)-3-[(4-fluorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-[(4-fluorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-[(4-fluorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione is CC1=CC(C)(C)N(C)c2cc(F)c(/C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)cc21.
What is the InChIKey of (5E)-3-[(4-fluorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is QTCWLSADIFDKFH-KEBDBYFISA-N. The full InChI is InChI=1S/C24H23F2N3O2/c1-14-12-24(2,3)28(4)21-11-19(26)16(9-18(14)21)10-20-22(30)29(23(31)27-20)13-15-5-7-17(25)8-6-15/h5-12H,13H2,1-4H3,(H,27,31)/b20-10+.
What are the key properties of (5E)-3-[(4-fluorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione?
(5E)-3-[(4-fluorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 423.46 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-[(4-fluorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 50865515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).