1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione

C19H16BrFN2O2 — CID 2984319

IUPAC1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCCc3ccccc32)C(=O)N1c1ccc(Br)cc1F
InChIInChI=1S/C19H16BrFN2O2/c20-13-7-8-16(14(21)10-13)23-18(24)11-17(19(23)25)22-9-3-5-12-4-1-2-6-15(12)22/h1-2,4,6-8,10,17H,3,5,9,11H2
InChIKeyKHZPWBOCYYGTPI-UHFFFAOYSA-N
MW403.25 g/mol
LogP3.67
Rot. Bonds2

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

1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione (PubChem CID 2984319) has the molecular formula C19H16BrFN2O2 and a molecular weight of 403.25 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione
PubChem CID2984319
Molecular FormulaC19H16BrFN2O2
Molecular Weight403.25 g/mol
Exact Mass402.04
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCCc3ccccc32)C(=O)N1c1ccc(Br)cc1F
InChIInChI=1S/C19H16BrFN2O2/c20-13-7-8-16(14(21)10-13)23-18(24)11-17(19(23)25)22-9-3-5-12-4-1-2-6-15(12)22/h1-2,4,6-8,10,17H,3,5,9,11H2
InChIKeyKHZPWBOCYYGTPI-UHFFFAOYSA-N
XLogP3.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.25
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione (CID 2984319) is 1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione is O=C1CC(N2CCCc3ccccc32)C(=O)N1c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is KHZPWBOCYYGTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrFN2O2/c20-13-7-8-16(14(21)10-13)23-18(24)11-17(19(23)25)22-9-3-5-12-4-1-2-6-15(12)22/h1-2,4,6-8,10,17H,3,5,9,11H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione?
1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 403.25 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2984319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).