3-phenyl-2-(1-pyrrolidin-1-ylpropoxy)quinoline

C22H24N2O — CID 69095620

IUPAC3-phenyl-2-(1-pyrrolidin-1-ylpropoxy)quinoline
SMILESCCC(Oc1nc2ccccc2cc1-c1ccccc1)N1CCCC1
InChIInChI=1S/C22H24N2O/c1-2-21(24-14-8-9-15-24)25-22-19(17-10-4-3-5-11-17)16-18-12-6-7-13-20(18)23-22/h3-7,10-13,16,21H,2,8-9,14-15H2,1H3
InChIKeyGUJUBDNFIJQOFR-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.11
Rot. Bonds5

About 3-phenyl-2-(1-pyrrolidin-1-ylpropoxy)quinoline

3-phenyl-2-(1-pyrrolidin-1-ylpropoxy)quinoline (PubChem CID 69095620) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-phenyl-2-(1-pyrrolidin-1-ylpropoxy)quinoline.

Molecular Properties

Compound Name3-phenyl-2-(1-pyrrolidin-1-ylpropoxy)quinoline
PubChem CID69095620
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name3-phenyl-2-(1-pyrrolidin-1-ylpropoxy)quinoline
SMILESCCC(Oc1nc2ccccc2cc1-c1ccccc1)N1CCCC1
InChIInChI=1S/C22H24N2O/c1-2-21(24-14-8-9-15-24)25-22-19(17-10-4-3-5-11-17)16-18-12-6-7-13-20(18)23-22/h3-7,10-13,16,21H,2,8-9,14-15H2,1H3
InChIKeyGUJUBDNFIJQOFR-UHFFFAOYSA-N
XLogP5.11
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(1-pyrrolidin-1-ylpropoxy)quinoline?
The IUPAC name of 3-phenyl-2-(1-pyrrolidin-1-ylpropoxy)quinoline (CID 69095620) is 3-phenyl-2-(1-pyrrolidin-1-ylpropoxy)quinoline.
What is the SMILES notation for 3-phenyl-2-(1-pyrrolidin-1-ylpropoxy)quinoline?
The canonical SMILES for 3-phenyl-2-(1-pyrrolidin-1-ylpropoxy)quinoline is CCC(Oc1nc2ccccc2cc1-c1ccccc1)N1CCCC1.
What is the InChIKey of 3-phenyl-2-(1-pyrrolidin-1-ylpropoxy)quinoline?
The InChIKey is GUJUBDNFIJQOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-2-21(24-14-8-9-15-24)25-22-19(17-10-4-3-5-11-17)16-18-12-6-7-13-20(18)23-22/h3-7,10-13,16,21H,2,8-9,14-15H2,1H3.
What are the key properties of 3-phenyl-2-(1-pyrrolidin-1-ylpropoxy)quinoline?
3-phenyl-2-(1-pyrrolidin-1-ylpropoxy)quinoline has a molecular weight of 332.45 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(1-pyrrolidin-1-ylpropoxy)quinoline is sourced from PubChem (CID 69095620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).