1-(7-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid

C14H13ClN2O2 — CID 122048451

IUPAC1-(7-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc3ccc(Cl)cc3n2)C1
InChIInChI=1S/C14H13ClN2O2/c15-11-3-1-9-2-4-13(16-12(9)7-11)17-6-5-10(8-17)14(18)19/h1-4,7,10H,5-6,8H2,(H,18,19)
InChIKeyJQKWEQSWHHGSJP-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.80
Rot. Bonds2

About 1-(7-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid

1-(7-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 122048451) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 1-(7-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(7-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID122048451
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name1-(7-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc3ccc(Cl)cc3n2)C1
InChIInChI=1S/C14H13ClN2O2/c15-11-3-1-9-2-4-13(16-12(9)7-11)17-6-5-10(8-17)14(18)19/h1-4,7,10H,5-6,8H2,(H,18,19)
InChIKeyJQKWEQSWHHGSJP-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(7-chloroquinolin-2-yl)pyrrolidine-3-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

1-[(E)-3-(7-chloroquinolin-2-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid
CID 129009461
1-(2-aminopyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 178108022
4-[(7-chloroquinolin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 122059980
(3S)-1-(7-chloro-4-imidazol-1-ylquinolin-2-yl)piperidine-3-carboxylic acid
CID 162750277
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
[1-(6-chloroquinolin-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163354844
1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid
CID 120964801
(3S)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703193
(3R)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 125148072
(3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 97013871
(3S)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxylic acid
CID 92863878
(3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 129353758

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(7-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid (CID 122048451) is 1-(7-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(7-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(7-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(c2ccc3ccc(Cl)cc3n2)C1.
What is the InChIKey of 1-(7-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is JQKWEQSWHHGSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-11-3-1-9-2-4-13(16-12(9)7-11)17-6-5-10(8-17)14(18)19/h1-4,7,10H,5-6,8H2,(H,18,19).
What are the key properties of 1-(7-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid?
1-(7-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 276.72 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122048451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).