(4R)-4-[2-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one

C15H15BrN2O2 — CID 71239584

IUPAC(4R)-4-[2-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](CCOc2cc(Br)cc3ncccc23)CN1
InChIInChI=1S/C15H15BrN2O2/c16-11-7-13-12(2-1-4-17-13)14(8-11)20-5-3-10-6-15(19)18-9-10/h1-2,4,7-8,10H,3,5-6,9H2,(H,18,19)/t10-/m1/s1
InChIKeyZLCVVUYGWAPFGB-SNVBAGLBSA-N
MW335.20 g/mol
LogP2.90
Rot. Bonds4

About (4R)-4-[2-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one

(4R)-4-[2-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one (PubChem CID 71239584) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is (4R)-4-[2-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[2-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one
PubChem CID71239584
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name(4R)-4-[2-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](CCOc2cc(Br)cc3ncccc23)CN1
InChIInChI=1S/C15H15BrN2O2/c16-11-7-13-12(2-1-4-17-13)14(8-11)20-5-3-10-6-15(19)18-9-10/h1-2,4,7-8,10H,3,5-6,9H2,(H,18,19)/t10-/m1/s1
InChIKeyZLCVVUYGWAPFGB-SNVBAGLBSA-N
XLogP2.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-4-[2-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one 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 (4R)-4-[2-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[2-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one (CID 71239584) is (4R)-4-[2-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[2-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[2-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one is O=C1C[C@@H](CCOc2cc(Br)cc3ncccc23)CN1.
What is the InChIKey of (4R)-4-[2-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one?
The InChIKey is ZLCVVUYGWAPFGB-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-11-7-13-12(2-1-4-17-13)14(8-11)20-5-3-10-6-15(19)18-9-10/h1-2,4,7-8,10H,3,5-6,9H2,(H,18,19)/t10-/m1/s1.
What are the key properties of (4R)-4-[2-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one?
(4R)-4-[2-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one has a molecular weight of 335.20 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71239584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).