4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline

C18H18F3N3 — CID 133402449

IUPAC4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1ccc2c(N3CCC(N4CC=CC4)C3)ccnc2c1
InChIInChI=1S/C18H18F3N3/c19-18(20,21)13-3-4-15-16(11-13)22-7-5-17(15)24-10-6-14(12-24)23-8-1-2-9-23/h1-5,7,11,14H,6,8-10,12H2
InChIKeyNDQZLRJVFRYMQZ-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.70
Rot. Bonds2

About 4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline

4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline (PubChem CID 133402449) has the molecular formula C18H18F3N3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline
PubChem CID133402449
Molecular FormulaC18H18F3N3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1ccc2c(N3CCC(N4CC=CC4)C3)ccnc2c1
InChIInChI=1S/C18H18F3N3/c19-18(20,21)13-3-4-15-16(11-13)22-7-5-17(15)24-10-6-14(12-24)23-8-1-2-9-23/h1-5,7,11,14H,6,8-10,12H2
InChIKeyNDQZLRJVFRYMQZ-UHFFFAOYSA-N
XLogP3.70
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline?
The IUPAC name of 4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline (CID 133402449) is 4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline?
The canonical SMILES for 4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline is FC(F)(F)c1ccc2c(N3CCC(N4CC=CC4)C3)ccnc2c1.
What is the InChIKey of 4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline?
The InChIKey is NDQZLRJVFRYMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3/c19-18(20,21)13-3-4-15-16(11-13)22-7-5-17(15)24-10-6-14(12-24)23-8-1-2-9-23/h1-5,7,11,14H,6,8-10,12H2.
What are the key properties of 4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline?
4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline has a molecular weight of 333.36 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline is sourced from PubChem (CID 133402449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).