(4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one

C15H15BrN2O2 — CID 71238288

IUPAC(4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(Br)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C15H15BrN2O2/c1-9(10-5-15(19)18-8-10)20-14-7-11(16)6-13-12(14)3-2-4-17-13/h2-4,6-7,9-10H,5,8H2,1H3,(H,18,19)/t9-,10-/m1/s1
InChIKeyHJSNNRSYISYTHN-NXEZZACHSA-N
MW335.20 g/mol
LogP2.90
Rot. Bonds3

About (4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one (PubChem CID 71238288) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one
PubChem CID71238288
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name(4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(Br)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C15H15BrN2O2/c1-9(10-5-15(19)18-8-10)20-14-7-11(16)6-13-12(14)3-2-4-17-13/h2-4,6-7,9-10H,5,8H2,1H3,(H,18,19)/t9-,10-/m1/s1
InChIKeyHJSNNRSYISYTHN-NXEZZACHSA-N
XLogP2.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one (CID 71238288) is (4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(Br)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one?
The InChIKey is HJSNNRSYISYTHN-NXEZZACHSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-9(10-5-15(19)18-8-10)20-14-7-11(16)6-13-12(14)3-2-4-17-13/h2-4,6-7,9-10H,5,8H2,1H3,(H,18,19)/t9-,10-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one has a molecular weight of 335.20 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-(7-bromoquinolin-5-yl)oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71238288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).