(5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione

C26H28N4O5 — CID 50867817

IUPAC(5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
SMILESCCN1c2cc(OC)c(/C=C3/NC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2C(C)=CC1(C)C
InChIInChI=1S/C26H28N4O5/c1-6-29-22-13-23(35-5)18(11-20(22)16(2)14-26(29,3)4)12-21-24(31)28(25(32)27-21)15-17-7-9-19(10-8-17)30(33)34/h7-14H,6,15H2,1-5H3,(H,27,32)/b21-12+
InChIKeyARAFWPFVJRQNMY-CIAFOILYSA-N
MW476.53 g/mol
LogP4.72
Rot. Bonds6

About (5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione

(5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 50867817) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is (5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
PubChem CID50867817
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC Name(5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
SMILESCCN1c2cc(OC)c(/C=C3/NC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2C(C)=CC1(C)C
InChIInChI=1S/C26H28N4O5/c1-6-29-22-13-23(35-5)18(11-20(22)16(2)14-26(29,3)4)12-21-24(31)28(25(32)27-21)15-17-7-9-19(10-8-17)30(33)34/h7-14H,6,15H2,1-5H3,(H,27,32)/b21-12+
InChIKeyARAFWPFVJRQNMY-CIAFOILYSA-N
XLogP4.72
TPSA105.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E)-3-benzyl-5-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50869901
(5E)-5-[(7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 50864008
(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-[(4-chlorophenyl)methyl]-5-[(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50869158
(5E)-5-[[1-(2-methoxy-4-nitrophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126246964
(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 21374381
(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-fluorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50865515
N-(4-chlorophenyl)-2-[(4E)-4-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 50869836
(5Z)-5-[(1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 99888107
(5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 50862079
(5Z)-1-(4-chlorophenyl)-5-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 50868005

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione (CID 50867817) is (5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione is CCN1c2cc(OC)c(/C=C3/NC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2C(C)=CC1(C)C.
What is the InChIKey of (5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is ARAFWPFVJRQNMY-CIAFOILYSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-6-29-22-13-23(35-5)18(11-20(22)16(2)14-26(29,3)4)12-21-24(31)28(25(32)27-21)15-17-7-9-19(10-8-17)30(33)34/h7-14H,6,15H2,1-5H3,(H,27,32)/b21-12+.
What are the key properties of (5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione?
(5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 476.53 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylidene]-3-[(4-nitrophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 50867817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).