(5Z)-5-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione

C18H20ClN3O2 — CID 50866877

IUPAC(5Z)-5-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
SMILESCCN1c2cc(Cl)c(/C=C3\NC(=O)NC3=O)cc2C(C)=CC1(C)C
InChIInChI=1S/C18H20ClN3O2/c1-5-22-15-8-13(19)11(7-14-16(23)21-17(24)20-14)6-12(15)10(2)9-18(22,3)4/h6-9H,5H2,1-4H3,(H2,20,21,23,24)/b14-7-
InChIKeyPVXYLCFTHIUICX-AUWJEWJLSA-N
MW345.83 g/mol
LogP3.54
Rot. Bonds2

About (5Z)-5-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione

(5Z)-5-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 50866877) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is (5Z)-5-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
PubChem CID50866877
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name(5Z)-5-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
SMILESCCN1c2cc(Cl)c(/C=C3\NC(=O)NC3=O)cc2C(C)=CC1(C)C
InChIInChI=1S/C18H20ClN3O2/c1-5-22-15-8-13(19)11(7-14-16(23)21-17(24)20-14)6-12(15)10(2)9-18(22,3)4/h6-9H,5H2,1-4H3,(H2,20,21,23,24)/b14-7-
InChIKeyPVXYLCFTHIUICX-AUWJEWJLSA-N
XLogP3.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.54
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 (5Z)-5-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione with MolForge

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Related Compounds

(5Z)-5-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 50866870
5-[(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 50868900
(5E)-5-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 99887422
(5E)-5-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 50867119
(5Z)-5-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 50866814
(5Z)-5-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-1-(2,3-dichlorophenyl)-1,3-diazinane-2,4,6-trione
CID 50867211
(5Z)-3-butan-2-yl-5-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 50867048
(5E)-3-[(4-chlorophenyl)methyl]-5-[(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50869158
5-[(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 50868909
5-[(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 50865137
1-(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)-N-(2-methylphenyl)methanimine
CID 50867062
5-[(7-methoxy-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 50869711

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione (CID 50866877) is (5Z)-5-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione is CCN1c2cc(Cl)c(/C=C3\NC(=O)NC3=O)cc2C(C)=CC1(C)C.
What is the InChIKey of (5Z)-5-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is PVXYLCFTHIUICX-AUWJEWJLSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-5-22-15-8-13(19)11(7-14-16(23)21-17(24)20-14)6-12(15)10(2)9-18(22,3)4/h6-9H,5H2,1-4H3,(H2,20,21,23,24)/b14-7-.
What are the key properties of (5Z)-5-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione?
(5Z)-5-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 345.83 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(7-chloro-1-ethyl-2,2,4-trimethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 50866877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).