3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylic acid

C14H13BrN2O3 — CID 89443577

IUPAC3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2cnc3ccc(Br)cc3c2)C1
InChIInChI=1S/C14H13BrN2O3/c15-10-1-2-13-9(5-10)6-12(7-16-13)20-11-3-4-17(8-11)14(18)19/h1-2,5-7,11H,3-4,8H2,(H,18,19)
InChIKeyMRIYSYADAZMVNI-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.13
Rot. Bonds2

About 3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylic acid

3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylic acid (PubChem CID 89443577) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is 3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylic acid
PubChem CID89443577
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2cnc3ccc(Br)cc3c2)C1
InChIInChI=1S/C14H13BrN2O3/c15-10-1-2-13-9(5-10)6-12(7-16-13)20-11-3-4-17(8-11)14(18)19/h1-2,5-7,11H,3-4,8H2,(H,18,19)
InChIKeyMRIYSYADAZMVNI-UHFFFAOYSA-N
XLogP3.13
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylic acid?
The IUPAC name of 3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylic acid (CID 89443577) is 3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylic acid is O=C(O)N1CCC(Oc2cnc3ccc(Br)cc3c2)C1.
What is the InChIKey of 3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylic acid?
The InChIKey is MRIYSYADAZMVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c15-10-1-2-13-9(5-10)6-12(7-16-13)20-11-3-4-17(8-11)14(18)19/h1-2,5-7,11H,3-4,8H2,(H,18,19).
What are the key properties of 3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylic acid?
3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylic acid has a molecular weight of 337.17 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 89443577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).