1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione

C23H19ClF3N3O4 — CID 59694313

About 1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione

1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione (PubChem CID 59694313) has the molecular formula C23H19ClF3N3O4 and a molecular weight of 493.87 g/mol. Its IUPAC name is 1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
• PubChem CID: 59694313
• Molecular Formula: C23H19ClF3N3O4
• Molecular Weight: 493.87 g/mol
• Exact Mass: 493.10
• IUPAC Name: 1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2ncc(Cl)c(CN3C(=O)N(c4ccc(OC(F)(F)F)cc4)C(=O)C3(C)C)c2c1
• InChI: InChI=1S/C23H19ClF3N3O4/c1-22(2)20(31)30(13-4-6-14(7-5-13)34-23(25,26)27)21(32)29(22)12-17-16-10-15(33-3)8-9-19(16)28-11-18(17)24/h4-11H,12H2,1-3H3
• InChIKey: DHFJFLVDYRHEFJ-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 71.97 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.87
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?

The IUPAC name of 1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione (CID 59694313) is 1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for 1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?

The canonical SMILES for 1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione is COc1ccc2ncc(Cl)c(CN3C(=O)N(c4ccc(OC(F)(F)F)cc4)C(=O)C3(C)C)c2c1.

What is the InChIKey of 1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?

The InChIKey is DHFJFLVDYRHEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N3O4/c1-22(2)20(31)30(13-4-6-14(7-5-13)34-23(25,26)27)21(32)29(22)12-17-16-10-15(33-3)8-9-19(16)28-11-18(17)24/h4-11H,12H2,1-3H3.

What are the key properties of 1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione?

1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione has a molecular weight of 493.87 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-chloro-6-methoxyquinolin-4-yl)methyl]-5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 59694313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).