3-pyrrolidin-2-ylquinoline

C13H14N2 — CID 3980642

IUPAC3-pyrrolidin-2-ylquinoline
SMILESc1ccc2ncc(C3CCCN3)cc2c1
InChIInChI=1S/C13H14N2/c1-2-5-12-10(4-1)8-11(9-15-12)13-6-3-7-14-13/h1-2,4-5,8-9,13-14H,3,6-7H2
InChIKeyQETHIJNTMQASAU-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.66
Rot. Bonds1

About 3-pyrrolidin-2-ylquinoline

3-pyrrolidin-2-ylquinoline (PubChem CID 3980642) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-pyrrolidin-2-ylquinoline.

Molecular Properties

Compound Name3-pyrrolidin-2-ylquinoline
PubChem CID3980642
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name3-pyrrolidin-2-ylquinoline
SMILESc1ccc2ncc(C3CCCN3)cc2c1
InChIInChI=1S/C13H14N2/c1-2-5-12-10(4-1)8-11(9-15-12)13-6-3-7-14-13/h1-2,4-5,8-9,13-14H,3,6-7H2
InChIKeyQETHIJNTMQASAU-UHFFFAOYSA-N
XLogP2.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-2-ylquinoline?
The IUPAC name of 3-pyrrolidin-2-ylquinoline (CID 3980642) is 3-pyrrolidin-2-ylquinoline.
What is the SMILES notation for 3-pyrrolidin-2-ylquinoline?
The canonical SMILES for 3-pyrrolidin-2-ylquinoline is c1ccc2ncc(C3CCCN3)cc2c1.
What is the InChIKey of 3-pyrrolidin-2-ylquinoline?
The InChIKey is QETHIJNTMQASAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-2-5-12-10(4-1)8-11(9-15-12)13-6-3-7-14-13/h1-2,4-5,8-9,13-14H,3,6-7H2.
What are the key properties of 3-pyrrolidin-2-ylquinoline?
3-pyrrolidin-2-ylquinoline has a molecular weight of 198.27 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-2-ylquinoline is sourced from PubChem (CID 3980642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).