1-(8-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid

C15H15BrN2O2 — CID 122052480

IUPAC1-(8-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2ccc3cccc(Br)c3n2)C1
InChIInChI=1S/C15H15BrN2O2/c1-15(14(19)20)7-8-18(9-15)12-6-5-10-3-2-4-11(16)13(10)17-12/h2-6H,7-9H2,1H3,(H,19,20)
InChIKeyFAIOVLNVAFKUPT-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.30
Rot. Bonds2

About 1-(8-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid

1-(8-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122052480) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 1-(8-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(8-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122052480
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name1-(8-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2ccc3cccc(Br)c3n2)C1
InChIInChI=1S/C15H15BrN2O2/c1-15(14(19)20)7-8-18(9-15)12-6-5-10-3-2-4-11(16)13(10)17-12/h2-6H,7-9H2,1H3,(H,19,20)
InChIKeyFAIOVLNVAFKUPT-UHFFFAOYSA-N
XLogP3.30
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052469
1-(7-fluoroquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052481
3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052448
1-(8-bromoquinolin-2-yl)pyrrolidine-2-carboxylic acid
CID 122058851
2-[4-(8-bromoquinolin-2-yl)piperazin-1-yl]acetamide
CID 71917685
1-(2-benzylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052513
3-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid
CID 122052349
5-(3-carboxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 122052353
2-[(3S)-1-(8-bromoquinolin-2-yl)piperidin-3-yl]acetamide
CID 97079700
1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052316
3-methyl-1-(5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 63147135
methyl 1-(6-amino-2-pyridinyl)-3-methylpyrrolidine-3-carboxylate
CID 156540993

Frequently Asked Questions

What is the IUPAC name of 1-(8-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(8-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid (CID 122052480) is 1-(8-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(8-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(8-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(c2ccc3cccc(Br)c3n2)C1.
What is the InChIKey of 1-(8-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is FAIOVLNVAFKUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-15(14(19)20)7-8-18(9-15)12-6-5-10-3-2-4-11(16)13(10)17-12/h2-6H,7-9H2,1H3,(H,19,20).
What are the key properties of 1-(8-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid?
1-(8-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 335.20 g/mol, XLogP of 3.30, 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)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122052480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).