1-(6-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid

C15H15BrN2O2 — CID 122052469

IUPAC1-(6-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2ccc3cc(Br)ccc3n2)C1
InChIInChI=1S/C15H15BrN2O2/c1-15(14(19)20)6-7-18(9-15)13-5-2-10-8-11(16)3-4-12(10)17-13/h2-5,8H,6-7,9H2,1H3,(H,19,20)
InChIKeyQATHLXXUQFETMH-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.30
Rot. Bonds2

About 1-(6-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid

1-(6-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122052469) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 1-(6-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122052469
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name1-(6-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2ccc3cc(Br)ccc3n2)C1
InChIInChI=1S/C15H15BrN2O2/c1-15(14(19)20)6-7-18(9-15)13-5-2-10-8-11(16)3-4-12(10)17-13/h2-5,8H,6-7,9H2,1H3,(H,19,20)
InChIKeyQATHLXXUQFETMH-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-(7-fluoroquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052481
1-(8-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052480
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
3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052448
1-(6,7-difluoroquinoxalin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052427
1-[2-(6-bromonaphthalen-2-yl)oxyacetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256117
5-(3-carboxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 122052353
(3R)-1-(6-bromoquinolin-2-yl)-N-methylpiperidine-3-carboxamide
CID 95775268
3-methyl-1-(5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 63147135
(3R)-1-(5-bromo-1H-indole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124695601
3-methyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052385

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid (CID 122052469) is 1-(6-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(c2ccc3cc(Br)ccc3n2)C1.
What is the InChIKey of 1-(6-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is QATHLXXUQFETMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-15(14(19)20)6-7-18(9-15)13-5-2-10-8-11(16)3-4-12(10)17-13/h2-5,8H,6-7,9H2,1H3,(H,19,20).
What are the key properties of 1-(6-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid?
1-(6-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-(6-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122052469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).