(2S)-1-(8-methoxyquinolin-4-yl)pyrrolidine-2-carboxylic acid

C15H16N2O3 — CID 122059647

IUPAC(2S)-1-(8-methoxyquinolin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCOc1cccc2c(N3CCC[C@H]3C(=O)O)ccnc12
InChIInChI=1S/C15H16N2O3/c1-20-13-6-2-4-10-11(7-8-16-14(10)13)17-9-3-5-12(17)15(18)19/h2,4,6-8,12H,3,5,9H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyWSKZHORGWGIJIV-LBPRGKRZSA-N
MW272.30 g/mol
LogP2.30
Rot. Bonds3

About (2S)-1-(8-methoxyquinolin-4-yl)pyrrolidine-2-carboxylic acid

(2S)-1-(8-methoxyquinolin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 122059647) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S)-1-(8-methoxyquinolin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(8-methoxyquinolin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID122059647
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(2S)-1-(8-methoxyquinolin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCOc1cccc2c(N3CCC[C@H]3C(=O)O)ccnc12
InChIInChI=1S/C15H16N2O3/c1-20-13-6-2-4-10-11(7-8-16-14(10)13)17-9-3-5-12(17)15(18)19/h2,4,6-8,12H,3,5,9H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyWSKZHORGWGIJIV-LBPRGKRZSA-N
XLogP2.30
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(8-methoxyquinolin-4-yl)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(8-chloroquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059656
1-(8-fluoroquinolin-4-yl)piperidine-2-carboxylic acid
CID 71563719
(2R)-1-(1,5-naphthyridin-4-yl)pyrrolidine-2-carboxylic acid
CID 122051669
1-(8-nitroquinolin-5-yl)pyrrolidine-2-carboxylic acid
CID 43449364
1-(8-aminoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 83065677
1-(3-bromo-2-methyl-4-pyridinyl)pyrrolidine-2-carboxylic acid
CID 154779506
1-quinazolin-5-ylpyrrolidine-2-carboxylic acid
CID 82386399
1-(8-aminoquinolin-4-yl)-N-methylpiperidine-2-carboxamide
CID 83065847
1-(2-methoxycarbonylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 66290681
(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 93274420
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856
(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(8-methoxyquinolin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(8-methoxyquinolin-4-yl)pyrrolidine-2-carboxylic acid (CID 122059647) is (2S)-1-(8-methoxyquinolin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(8-methoxyquinolin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(8-methoxyquinolin-4-yl)pyrrolidine-2-carboxylic acid is COc1cccc2c(N3CCC[C@H]3C(=O)O)ccnc12.
What is the InChIKey of (2S)-1-(8-methoxyquinolin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is WSKZHORGWGIJIV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-13-6-2-4-10-11(7-8-16-14(10)13)17-9-3-5-12(17)15(18)19/h2,4,6-8,12H,3,5,9H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-1-(8-methoxyquinolin-4-yl)pyrrolidine-2-carboxylic acid?
(2S)-1-(8-methoxyquinolin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(8-methoxyquinolin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122059647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).