1-methyl-3-phenyl-3-(1-phenylselanylethenyl)quinoline-2,4-dione

C24H19NO2Se — CID 57381396

IUPAC1-methyl-3-phenyl-3-(1-phenylselanylethenyl)quinoline-2,4-dione
SMILESC=C([Se]c1ccccc1)C1(c2ccccc2)C(=O)c2ccccc2N(C)C1=O
InChIInChI=1S/C24H19NO2Se/c1-17(28-19-13-7-4-8-14-19)24(18-11-5-3-6-12-18)22(26)20-15-9-10-16-21(20)25(2)23(24)27/h3-16H,1H2,2H3
InChIKeyCONYXZPRSZYTIU-UHFFFAOYSA-N
MW432.38 g/mol
LogP3.33
Rot. Bonds4

About 1-methyl-3-phenyl-3-(1-phenylselanylethenyl)quinoline-2,4-dione

1-methyl-3-phenyl-3-(1-phenylselanylethenyl)quinoline-2,4-dione (PubChem CID 57381396) has the molecular formula C24H19NO2Se and a molecular weight of 432.38 g/mol. Its IUPAC name is 1-methyl-3-phenyl-3-(1-phenylselanylethenyl)quinoline-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-phenyl-3-(1-phenylselanylethenyl)quinoline-2,4-dione
PubChem CID57381396
Molecular FormulaC24H19NO2Se
Molecular Weight432.38 g/mol
Exact Mass433.06
IUPAC Name1-methyl-3-phenyl-3-(1-phenylselanylethenyl)quinoline-2,4-dione
SMILESC=C([Se]c1ccccc1)C1(c2ccccc2)C(=O)c2ccccc2N(C)C1=O
InChIInChI=1S/C24H19NO2Se/c1-17(28-19-13-7-4-8-14-19)24(18-11-5-3-6-12-18)22(26)20-15-9-10-16-21(20)25(2)23(24)27/h3-16H,1H2,2H3
InChIKeyCONYXZPRSZYTIU-UHFFFAOYSA-N
XLogP3.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-methyl-3-phenyl-3-(1-phenylselanylethenyl)quinoline-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-methyl-3-phenyl-3-(1-phenylselanylethenyl)quinoline-2,4-dione?
The IUPAC name of 1-methyl-3-phenyl-3-(1-phenylselanylethenyl)quinoline-2,4-dione (CID 57381396) is 1-methyl-3-phenyl-3-(1-phenylselanylethenyl)quinoline-2,4-dione.
What is the SMILES notation for 1-methyl-3-phenyl-3-(1-phenylselanylethenyl)quinoline-2,4-dione?
The canonical SMILES for 1-methyl-3-phenyl-3-(1-phenylselanylethenyl)quinoline-2,4-dione is C=C([Se]c1ccccc1)C1(c2ccccc2)C(=O)c2ccccc2N(C)C1=O.
What is the InChIKey of 1-methyl-3-phenyl-3-(1-phenylselanylethenyl)quinoline-2,4-dione?
The InChIKey is CONYXZPRSZYTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO2Se/c1-17(28-19-13-7-4-8-14-19)24(18-11-5-3-6-12-18)22(26)20-15-9-10-16-21(20)25(2)23(24)27/h3-16H,1H2,2H3.
What are the key properties of 1-methyl-3-phenyl-3-(1-phenylselanylethenyl)quinoline-2,4-dione?
1-methyl-3-phenyl-3-(1-phenylselanylethenyl)quinoline-2,4-dione has a molecular weight of 432.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-3-(1-phenylselanylethenyl)quinoline-2,4-dione is sourced from PubChem (CID 57381396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).