1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione

C20H14F3N3O4S — CID 54581422

IUPAC1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione
SMILESO=C1CN(Cc2ccnc3ccccc23)C(=O)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C20H14F3N3O4S/c21-20(22,23)31(29,30)15-7-5-14(6-8-15)26-18(27)12-25(19(26)28)11-13-9-10-24-17-4-2-1-3-16(13)17/h1-10H,11-12H2
InChIKeyRNULMYCFESFLCX-UHFFFAOYSA-N
MW449.41 g/mol
LogP3.50
Rot. Bonds4

About 1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione

1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione (PubChem CID 54581422) has the molecular formula C20H14F3N3O4S and a molecular weight of 449.41 g/mol. Its IUPAC name is 1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione
PubChem CID54581422
Molecular FormulaC20H14F3N3O4S
Molecular Weight449.41 g/mol
Exact Mass449.07
IUPAC Name1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione
SMILESO=C1CN(Cc2ccnc3ccccc23)C(=O)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C20H14F3N3O4S/c21-20(22,23)31(29,30)15-7-5-14(6-8-15)26-18(27)12-25(19(26)28)11-13-9-10-24-17-4-2-1-3-16(13)17/h1-10H,11-12H2
InChIKeyRNULMYCFESFLCX-UHFFFAOYSA-N
XLogP3.50
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]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 1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione (CID 54581422) is 1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione is O=C1CN(Cc2ccnc3ccccc23)C(=O)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of 1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is RNULMYCFESFLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O4S/c21-20(22,23)31(29,30)15-7-5-14(6-8-15)26-18(27)12-25(19(26)28)11-13-9-10-24-17-4-2-1-3-16(13)17/h1-10H,11-12H2.
What are the key properties of 1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione?
1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 449.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 54581422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).