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

C14H13ClN2O2 — CID 122059656

IUPAC(2S)-1-(8-chloroquinolin-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1c1ccnc2c(Cl)cccc12
InChIInChI=1S/C14H13ClN2O2/c15-10-4-1-3-9-11(6-7-16-13(9)10)17-8-2-5-12(17)14(18)19/h1,3-4,6-7,12H,2,5,8H2,(H,18,19)/t12-/m0/s1
InChIKeyODZSCIZYSQUIAU-LBPRGKRZSA-N
MW276.72 g/mol
LogP2.94
Rot. Bonds2

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

(2S)-1-(8-chloroquinolin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 122059656) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is (2S)-1-(8-chloroquinolin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(8-chloroquinolin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID122059656
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name(2S)-1-(8-chloroquinolin-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1c1ccnc2c(Cl)cccc12
InChIInChI=1S/C14H13ClN2O2/c15-10-4-1-3-9-11(6-7-16-13(9)10)17-8-2-5-12(17)14(18)19/h1,3-4,6-7,12H,2,5,8H2,(H,18,19)/t12-/m0/s1
InChIKeyODZSCIZYSQUIAU-LBPRGKRZSA-N
XLogP2.94
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(8-fluoroquinolin-4-yl)piperidine-2-carboxylic acid
CID 71563719
(2S)-1-(8-methoxyquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059647
(2R)-1-(1,5-naphthyridin-4-yl)pyrrolidine-2-carboxylic acid
CID 122051669
1-(8-nitroquinolin-5-yl)pyrrolidine-2-carboxylic acid
CID 43449364
2-[[1-(8-chloroquinolin-4-yl)azepan-4-yl]-methylamino]acetic acid
CID 122062362
1-(8-aminoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 83065677
1-(8-aminoquinolin-4-yl)-N-methylpiperidine-2-carboxamide
CID 83065847
(2S)-1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059764
1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122058852
1-(6-fluoroquinolin-4-yl)piperidine-2-carboxylic acid
CID 71563717
1-(3-bromo-2-methyl-4-pyridinyl)pyrrolidine-2-carboxylic acid
CID 154779506
1-quinazolin-5-ylpyrrolidine-2-carboxylic acid
CID 82386399

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(8-chloroquinolin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(8-chloroquinolin-4-yl)pyrrolidine-2-carboxylic acid (CID 122059656) is (2S)-1-(8-chloroquinolin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(8-chloroquinolin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(8-chloroquinolin-4-yl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1c1ccnc2c(Cl)cccc12.
What is the InChIKey of (2S)-1-(8-chloroquinolin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is ODZSCIZYSQUIAU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-10-4-1-3-9-11(6-7-16-13(9)10)17-8-2-5-12(17)14(18)19/h1,3-4,6-7,12H,2,5,8H2,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-1-(8-chloroquinolin-4-yl)pyrrolidine-2-carboxylic acid?
(2S)-1-(8-chloroquinolin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 276.72 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(8-chloroquinolin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122059656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).