(5E)-5-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione

C18H21N3O2 — CID 99887422

IUPAC(5E)-5-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
SMILESCC1=CC(C)(C)N(C)c2cc(C)c(/C=C3/NC(=O)NC3=O)cc21
InChIInChI=1S/C18H21N3O2/c1-10-6-15-13(11(2)9-18(3,4)21(15)5)7-12(10)8-14-16(22)20-17(23)19-14/h6-9H,1-5H3,(H2,19,20,22,23)/b14-8+
InChIKeyFCEDIIBGGZADBC-RIYZIHGNSA-N
MW311.39 g/mol
LogP2.81
Rot. Bonds1

About (5E)-5-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione

(5E)-5-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 99887422) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (5E)-5-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
PubChem CID99887422
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(5E)-5-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
SMILESCC1=CC(C)(C)N(C)c2cc(C)c(/C=C3/NC(=O)NC3=O)cc21
InChIInChI=1S/C18H21N3O2/c1-10-6-15-13(11(2)9-18(3,4)21(15)5)7-12(10)8-14-16(22)20-17(23)19-14/h6-9H,1-5H3,(H2,19,20,22,23)/b14-8+
InChIKeyFCEDIIBGGZADBC-RIYZIHGNSA-N
XLogP2.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
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'}

Analyze (5E)-5-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylidene]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

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione (CID 99887422) is (5E)-5-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione is CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3/NC(=O)NC3=O)cc21.
What is the InChIKey of (5E)-5-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is FCEDIIBGGZADBC-RIYZIHGNSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-10-6-15-13(11(2)9-18(3,4)21(15)5)7-12(10)8-14-16(22)20-17(23)19-14/h6-9H,1-5H3,(H2,19,20,22,23)/b14-8+.
What are the key properties of (5E)-5-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione?
(5E)-5-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 311.39 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 99887422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).