2-(3-hydroxy-2-methylpyrrolidin-1-yl)quinoline-5-carboxylic acid

C15H16N2O3 — CID 174843899

IUPAC2-(3-hydroxy-2-methylpyrrolidin-1-yl)quinoline-5-carboxylic acid
SMILESCC1C(O)CCN1c1ccc2c(C(=O)O)cccc2n1
InChIInChI=1S/C15H16N2O3/c1-9-13(18)7-8-17(9)14-6-5-10-11(15(19)20)3-2-4-12(10)16-14/h2-6,9,13,18H,7-8H2,1H3,(H,19,20)
InChIKeyBOKZRHJETSQFQB-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.89
Rot. Bonds2

About 2-(3-hydroxy-2-methylpyrrolidin-1-yl)quinoline-5-carboxylic acid

2-(3-hydroxy-2-methylpyrrolidin-1-yl)quinoline-5-carboxylic acid (PubChem CID 174843899) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(3-hydroxy-2-methylpyrrolidin-1-yl)quinoline-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxy-2-methylpyrrolidin-1-yl)quinoline-5-carboxylic acid
PubChem CID174843899
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-(3-hydroxy-2-methylpyrrolidin-1-yl)quinoline-5-carboxylic acid
SMILESCC1C(O)CCN1c1ccc2c(C(=O)O)cccc2n1
InChIInChI=1S/C15H16N2O3/c1-9-13(18)7-8-17(9)14-6-5-10-11(15(19)20)3-2-4-12(10)16-14/h2-6,9,13,18H,7-8H2,1H3,(H,19,20)
InChIKeyBOKZRHJETSQFQB-UHFFFAOYSA-N
XLogP1.89
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-methylpyrrolidin-1-yl)quinoline-5-carboxylic acid?
The IUPAC name of 2-(3-hydroxy-2-methylpyrrolidin-1-yl)quinoline-5-carboxylic acid (CID 174843899) is 2-(3-hydroxy-2-methylpyrrolidin-1-yl)quinoline-5-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxy-2-methylpyrrolidin-1-yl)quinoline-5-carboxylic acid?
The canonical SMILES for 2-(3-hydroxy-2-methylpyrrolidin-1-yl)quinoline-5-carboxylic acid is CC1C(O)CCN1c1ccc2c(C(=O)O)cccc2n1.
What is the InChIKey of 2-(3-hydroxy-2-methylpyrrolidin-1-yl)quinoline-5-carboxylic acid?
The InChIKey is BOKZRHJETSQFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-13(18)7-8-17(9)14-6-5-10-11(15(19)20)3-2-4-12(10)16-14/h2-6,9,13,18H,7-8H2,1H3,(H,19,20).
What are the key properties of 2-(3-hydroxy-2-methylpyrrolidin-1-yl)quinoline-5-carboxylic acid?
2-(3-hydroxy-2-methylpyrrolidin-1-yl)quinoline-5-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-methylpyrrolidin-1-yl)quinoline-5-carboxylic acid is sourced from PubChem (CID 174843899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).