1-(8-bromoquinolin-2-yl)pyrrolidine-2-carboxylic acid

C14H13BrN2O2 — CID 122058851

IUPAC1-(8-bromoquinolin-2-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1ccc2cccc(Br)c2n1
InChIInChI=1S/C14H13BrN2O2/c15-10-4-1-3-9-6-7-12(16-13(9)10)17-8-2-5-11(17)14(18)19/h1,3-4,6-7,11H,2,5,8H2,(H,18,19)
InChIKeyASWZMCFAZFRVPA-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.05
Rot. Bonds2

About 1-(8-bromoquinolin-2-yl)pyrrolidine-2-carboxylic acid

1-(8-bromoquinolin-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 122058851) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 1-(8-bromoquinolin-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(8-bromoquinolin-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID122058851
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name1-(8-bromoquinolin-2-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1ccc2cccc(Br)c2n1
InChIInChI=1S/C14H13BrN2O2/c15-10-4-1-3-9-6-7-12(16-13(9)10)17-8-2-5-11(17)14(18)19/h1,3-4,6-7,11H,2,5,8H2,(H,18,19)
InChIKeyASWZMCFAZFRVPA-UHFFFAOYSA-N
XLogP3.05
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-bromoquinolin-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(8-bromoquinolin-2-yl)pyrrolidine-2-carboxylic acid (CID 122058851) is 1-(8-bromoquinolin-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(8-bromoquinolin-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(8-bromoquinolin-2-yl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1c1ccc2cccc(Br)c2n1.
What is the InChIKey of 1-(8-bromoquinolin-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is ASWZMCFAZFRVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-10-4-1-3-9-6-7-12(16-13(9)10)17-8-2-5-11(17)14(18)19/h1,3-4,6-7,11H,2,5,8H2,(H,18,19).
What are the key properties of 1-(8-bromoquinolin-2-yl)pyrrolidine-2-carboxylic acid?
1-(8-bromoquinolin-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 321.17 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-bromoquinolin-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122058851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).