2-(6-pyrrolidin-1-ylquinolin-2-yl)acetic acid

C15H16N2O2 — CID 82245506

IUPAC2-(6-pyrrolidin-1-ylquinolin-2-yl)acetic acid
SMILESO=C(O)Cc1ccc2cc(N3CCCC3)ccc2n1
InChIInChI=1S/C15H16N2O2/c18-15(19)10-12-4-3-11-9-13(5-6-14(11)16-12)17-7-1-2-8-17/h3-6,9H,1-2,7-8,10H2,(H,18,19)
InChIKeyOPLONMWYPXUSHR-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.46
Rot. Bonds3

About 2-(6-pyrrolidin-1-ylquinolin-2-yl)acetic acid

2-(6-pyrrolidin-1-ylquinolin-2-yl)acetic acid (PubChem CID 82245506) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(6-pyrrolidin-1-ylquinolin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-pyrrolidin-1-ylquinolin-2-yl)acetic acid
PubChem CID82245506
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-(6-pyrrolidin-1-ylquinolin-2-yl)acetic acid
SMILESO=C(O)Cc1ccc2cc(N3CCCC3)ccc2n1
InChIInChI=1S/C15H16N2O2/c18-15(19)10-12-4-3-11-9-13(5-6-14(11)16-12)17-7-1-2-8-17/h3-6,9H,1-2,7-8,10H2,(H,18,19)
InChIKeyOPLONMWYPXUSHR-UHFFFAOYSA-N
XLogP2.46
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(6-pyrrolidin-1-ylquinolin-2-yl)acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-pyrrolidin-1-ylquinolin-2-yl)acetic acid?
The IUPAC name of 2-(6-pyrrolidin-1-ylquinolin-2-yl)acetic acid (CID 82245506) is 2-(6-pyrrolidin-1-ylquinolin-2-yl)acetic acid.
What is the SMILES notation for 2-(6-pyrrolidin-1-ylquinolin-2-yl)acetic acid?
The canonical SMILES for 2-(6-pyrrolidin-1-ylquinolin-2-yl)acetic acid is O=C(O)Cc1ccc2cc(N3CCCC3)ccc2n1.
What is the InChIKey of 2-(6-pyrrolidin-1-ylquinolin-2-yl)acetic acid?
The InChIKey is OPLONMWYPXUSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-15(19)10-12-4-3-11-9-13(5-6-14(11)16-12)17-7-1-2-8-17/h3-6,9H,1-2,7-8,10H2,(H,18,19).
What are the key properties of 2-(6-pyrrolidin-1-ylquinolin-2-yl)acetic acid?
2-(6-pyrrolidin-1-ylquinolin-2-yl)acetic acid has a molecular weight of 256.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-pyrrolidin-1-ylquinolin-2-yl)acetic acid is sourced from PubChem (CID 82245506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).