3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione

C23H17FN2O2S — CID 110553962

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESO=C1C(c2cccs2)=C(N2CCCc3ccccc32)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C23H17FN2O2S/c24-16-9-11-17(12-10-16)26-22(27)20(19-8-4-14-29-19)21(23(26)28)25-13-3-6-15-5-1-2-7-18(15)25/h1-2,4-5,7-12,14H,3,6,13H2
InChIKeySCIWSUXOXVVXEW-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.62
Rot. Bonds3

About 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione

3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 110553962) has the molecular formula C23H17FN2O2S and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID110553962
Molecular FormulaC23H17FN2O2S
Molecular Weight404.47 g/mol
Exact Mass404.10
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESO=C1C(c2cccs2)=C(N2CCCc3ccccc32)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C23H17FN2O2S/c24-16-9-11-17(12-10-16)26-22(27)20(19-8-4-14-29-19)21(23(26)28)25-13-3-6-15-5-1-2-7-18(15)25/h1-2,4-5,7-12,14H,3,6,13H2
InChIKeySCIWSUXOXVVXEW-UHFFFAOYSA-N
XLogP4.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroindol-1-yl)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553964
1-(3-chloro-4-methylphenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555069
3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552293
3-(2,3-dihydroindol-1-yl)-1-(3,4-dimethylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554246
1-cyclohexyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553150
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethylphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110544966
1-(3-chloro-4-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545150
1-[(2-chlorophenyl)methyl]-3-(3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552521
3-(2,3-dihydroindol-1-yl)-1-methyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553012
1-(3-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553995
3-chloro-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110583072
3-(3,4-dihydro-2H-quinolin-1-yl)-1-[3-(dimethylamino)phenyl]-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545903

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione (CID 110553962) is 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione is O=C1C(c2cccs2)=C(N2CCCc3ccccc32)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is SCIWSUXOXVVXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O2S/c24-16-9-11-17(12-10-16)26-22(27)20(19-8-4-14-29-19)21(23(26)28)25-13-3-6-15-5-1-2-7-18(15)25/h1-2,4-5,7-12,14H,3,6,13H2.
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione?
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 404.47 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110553962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).