3-(1-butylpyrrolidin-2-yl)quinoline

C17H22N2 — CID 102543349

IUPAC3-(1-butylpyrrolidin-2-yl)quinoline
SMILESCCCCN1CCCC1c1cnc2ccccc2c1
InChIInChI=1S/C17H22N2/c1-2-3-10-19-11-6-9-17(19)15-12-14-7-4-5-8-16(14)18-13-15/h4-5,7-8,12-13,17H,2-3,6,9-11H2,1H3
InChIKeyGRQPEMKTUAJZNY-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.17
Rot. Bonds4

About 3-(1-butylpyrrolidin-2-yl)quinoline

3-(1-butylpyrrolidin-2-yl)quinoline (PubChem CID 102543349) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-(1-butylpyrrolidin-2-yl)quinoline.

Molecular Properties

Compound Name3-(1-butylpyrrolidin-2-yl)quinoline
PubChem CID102543349
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name3-(1-butylpyrrolidin-2-yl)quinoline
SMILESCCCCN1CCCC1c1cnc2ccccc2c1
InChIInChI=1S/C17H22N2/c1-2-3-10-19-11-6-9-17(19)15-12-14-7-4-5-8-16(14)18-13-15/h4-5,7-8,12-13,17H,2-3,6,9-11H2,1H3
InChIKeyGRQPEMKTUAJZNY-UHFFFAOYSA-N
XLogP4.17
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(1-butylpyrrolidin-2-yl)quinoline 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 3-(1-butylpyrrolidin-2-yl)quinoline?
The IUPAC name of 3-(1-butylpyrrolidin-2-yl)quinoline (CID 102543349) is 3-(1-butylpyrrolidin-2-yl)quinoline.
What is the SMILES notation for 3-(1-butylpyrrolidin-2-yl)quinoline?
The canonical SMILES for 3-(1-butylpyrrolidin-2-yl)quinoline is CCCCN1CCCC1c1cnc2ccccc2c1.
What is the InChIKey of 3-(1-butylpyrrolidin-2-yl)quinoline?
The InChIKey is GRQPEMKTUAJZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-3-10-19-11-6-9-17(19)15-12-14-7-4-5-8-16(14)18-13-15/h4-5,7-8,12-13,17H,2-3,6,9-11H2,1H3.
What are the key properties of 3-(1-butylpyrrolidin-2-yl)quinoline?
3-(1-butylpyrrolidin-2-yl)quinoline has a molecular weight of 254.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butylpyrrolidin-2-yl)quinoline is sourced from PubChem (CID 102543349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).