1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid

C14H13BrN2O2 — CID 122058852

IUPAC1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1ccnc2cc(Br)ccc12
InChIInChI=1S/C14H13BrN2O2/c15-9-3-4-10-11(8-9)16-6-5-12(10)17-7-1-2-13(17)14(18)19/h3-6,8,13H,1-2,7H2,(H,18,19)
InChIKeyWBAIQNQKWNGJSN-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.05
Rot. Bonds2

About 1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid

1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 122058852) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID122058852
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1ccnc2cc(Br)ccc12
InChIInChI=1S/C14H13BrN2O2/c15-9-3-4-10-11(8-9)16-6-5-12(10)17-7-1-2-13(17)14(18)19/h3-6,8,13H,1-2,7H2,(H,18,19)
InChIKeyWBAIQNQKWNGJSN-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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Related Compounds

(2S)-1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059764
1-(7-bromoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 133331225
1-(6-fluoroquinolin-4-yl)piperidine-2-carboxylic acid
CID 71563717
1-(3-bromo-2-methyl-4-pyridinyl)pyrrolidine-2-carboxylic acid
CID 154779506
(2R)-1-(1,5-naphthyridin-4-yl)pyrrolidine-2-carboxylic acid
CID 122051669
1-(7-aminoquinolin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 103000781
1-(7-chloroquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 134032257
1-(7-chloroquinolin-4-yl)piperidine-2-carboxamide
CID 173119535
(2S)-1-(8-chloroquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059656
1-(8-bromo-5-fluoroquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122058757
(2S)-1-(8-methoxyquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059647
1-(1-quinolin-4-ylpiperidin-2-yl)ethanone
CID 55258345

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid (CID 122058852) is 1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1c1ccnc2cc(Br)ccc12.
What is the InChIKey of 1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is WBAIQNQKWNGJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-9-3-4-10-11(8-9)16-6-5-12(10)17-7-1-2-13(17)14(18)19/h3-6,8,13H,1-2,7H2,(H,18,19).
What are the key properties of 1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid?
1-(7-bromoquinolin-4-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-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122058852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).