3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethylphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione

C27H23FN2O2 — CID 110544966

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethylphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
SMILESCCc1ccc(N2C(=O)C(c3ccc(F)cc3)=C(N3CCCc4ccccc43)C2=O)cc1
InChIInChI=1S/C27H23FN2O2/c1-2-18-9-15-22(16-10-18)30-26(31)24(20-11-13-21(28)14-12-20)25(27(30)32)29-17-5-7-19-6-3-4-8-23(19)29/h3-4,6,8-16H,2,5,7,17H2,1H3
InChIKeyWGUKJGZYGUEEJT-UHFFFAOYSA-N
MW426.49 g/mol
LogP5.13
Rot. Bonds4

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

3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethylphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione (PubChem CID 110544966) has the molecular formula C27H23FN2O2 and a molecular weight of 426.49 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethylphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethylphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
PubChem CID110544966
Molecular FormulaC27H23FN2O2
Molecular Weight426.49 g/mol
Exact Mass426.17
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethylphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
SMILESCCc1ccc(N2C(=O)C(c3ccc(F)cc3)=C(N3CCCc4ccccc43)C2=O)cc1
InChIInChI=1S/C27H23FN2O2/c1-2-18-9-15-22(16-10-18)30-26(31)24(20-11-13-21(28)14-12-20)25(27(30)32)29-17-5-7-19-6-3-4-8-23(19)29/h3-4,6,8-16H,2,5,7,17H2,1H3
InChIKeyWGUKJGZYGUEEJT-UHFFFAOYSA-N
XLogP5.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.49
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethylphenyl)-4-phenylpyrrole-2,5-dione
CID 110560853
1-(3-chloro-4-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545150
3-(3,4-dihydro-2H-quinolin-1-yl)-1-ethyl-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110543774
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione
CID 110573925
3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557315
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-ethoxyphenyl)-1-(3-fluorophenyl)pyrrole-2,5-dione
CID 110547250
3-(3,4-dihydro-2H-quinolin-1-yl)-1-[3-(dimethylamino)phenyl]-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545903
3-(2,3-dihydroindol-1-yl)-1-[4-(dimethylamino)phenyl]-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110543134
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(3-fluorophenyl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110557064
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-fluorophenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553962
3-(2,3-dihydroindol-1-yl)-1-(4-fluorophenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110542035
3-(3,4-dihydro-2H-quinolin-1-yl)-1,4-bis(3,4-dimethylphenyl)pyrrole-2,5-dione
CID 110549951

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethylphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethylphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione (CID 110544966) is 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethylphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethylphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethylphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione is CCc1ccc(N2C(=O)C(c3ccc(F)cc3)=C(N3CCCc4ccccc43)C2=O)cc1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethylphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione?
The InChIKey is WGUKJGZYGUEEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN2O2/c1-2-18-9-15-22(16-10-18)30-26(31)24(20-11-13-21(28)14-12-20)25(27(30)32)29-17-5-7-19-6-3-4-8-23(19)29/h3-4,6,8-16H,2,5,7,17H2,1H3.
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethylphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione?
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethylphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione has a molecular weight of 426.49 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-ethylphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110544966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).