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

C19H16BrFN2O2 — CID 7372259

IUPAC(3S)-1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](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/t17-/m0/s1
InChIKeyKHZPWBOCYYGTPI-KRWDZBQOSA-N
MW403.25 g/mol
LogP3.67
Rot. Bonds2

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

(3S)-1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione (PubChem CID 7372259) has the molecular formula C19H16BrFN2O2 and a molecular weight of 403.25 g/mol. Its IUPAC name is (3S)-1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione
PubChem CID7372259
Molecular FormulaC19H16BrFN2O2
Molecular Weight403.25 g/mol
Exact Mass402.04
IUPAC Name(3S)-1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](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/t17-/m0/s1
InChIKeyKHZPWBOCYYGTPI-KRWDZBQOSA-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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Related Compounds

1-(4-bromophenyl)-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrrolidine-2,5-dione
CID 5285474
1-Benzyl-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2988908
4-(3,4-Dihydro-2H-quinoline-1-carbonyl)-1-(4-fluoro-phenyl)-pyrrolidin-2-one
CID 6493316
3-(4-Benzylpiperazin-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 2833553
1-(3-Bromophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2835885
1-(4-fluorophenyl)-3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)pyrrolidine-2,5-dione
CID 4056093
1-(4-bromophenyl)-3-[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]-2,4-imidazolidinedione
CID 2228525
3-(3,4-dihydroquinolin-1(2H)-yl)-1-phenylpyrrolidine-2,5-dione
CID 594337
1-Phenethyl-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2853382
1-(2,4-Dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2832607
1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2H)-yl]pyrrolidine-2,5-dione
CID 2949746
3-(3,4-dihydroisoquinolin-2(1H)-yl)-1-phenylpyrrolidine-2,5-dione
CID 3705514

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione (CID 7372259) is (3S)-1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione is O=C1C[C@H](N2CCCc3ccccc32)C(=O)N1c1ccc(Br)cc1F.
What is the InChIKey of (3S)-1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is KHZPWBOCYYGTPI-KRWDZBQOSA-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/t17-/m0/s1.
What are the key properties of (3S)-1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione?
(3S)-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 (3S)-1-(4-bromo-2-fluorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 7372259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).