2-phenyl-4-pyrrolidin-1-yl-8-(trifluoromethyl)quinolin-1-ium

C20H18F3N2+ — CID 7396003

IUPAC2-phenyl-4-pyrrolidin-1-yl-8-(trifluoromethyl)quinolin-1-ium
SMILESFC(F)(F)c1cccc2c(N3CCCC3)cc(-c3ccccc3)[nH+]c12
InChIInChI=1S/C20H17F3N2/c21-20(22,23)16-10-6-9-15-18(25-11-4-5-12-25)13-17(24-19(15)16)14-7-2-1-3-8-14/h1-3,6-10,13H,4-5,11-12H2/p+1
InChIKeyFWHFCFPVTSBGIO-UHFFFAOYSA-O
MW343.37 g/mol
LogP4.94
Rot. Bonds2

About 2-phenyl-4-pyrrolidin-1-yl-8-(trifluoromethyl)quinolin-1-ium

2-phenyl-4-pyrrolidin-1-yl-8-(trifluoromethyl)quinolin-1-ium (PubChem CID 7396003) has the molecular formula C20H18F3N2+ and a molecular weight of 343.37 g/mol. Its IUPAC name is 2-phenyl-4-pyrrolidin-1-yl-8-(trifluoromethyl)quinolin-1-ium.

Molecular Properties

Compound Name2-phenyl-4-pyrrolidin-1-yl-8-(trifluoromethyl)quinolin-1-ium
PubChem CID7396003
Molecular FormulaC20H18F3N2+
Molecular Weight343.37 g/mol
Exact Mass343.14
IUPAC Name2-phenyl-4-pyrrolidin-1-yl-8-(trifluoromethyl)quinolin-1-ium
SMILESFC(F)(F)c1cccc2c(N3CCCC3)cc(-c3ccccc3)[nH+]c12
InChIInChI=1S/C20H17F3N2/c21-20(22,23)16-10-6-9-15-18(25-11-4-5-12-25)13-17(24-19(15)16)14-7-2-1-3-8-14/h1-3,6-10,13H,4-5,11-12H2/p+1
InChIKeyFWHFCFPVTSBGIO-UHFFFAOYSA-O
XLogP4.94
TPSA17.38 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-pyrrolidin-1-yl-8-(trifluoromethyl)quinolin-1-ium?
The IUPAC name of 2-phenyl-4-pyrrolidin-1-yl-8-(trifluoromethyl)quinolin-1-ium (CID 7396003) is 2-phenyl-4-pyrrolidin-1-yl-8-(trifluoromethyl)quinolin-1-ium.
What is the SMILES notation for 2-phenyl-4-pyrrolidin-1-yl-8-(trifluoromethyl)quinolin-1-ium?
The canonical SMILES for 2-phenyl-4-pyrrolidin-1-yl-8-(trifluoromethyl)quinolin-1-ium is FC(F)(F)c1cccc2c(N3CCCC3)cc(-c3ccccc3)[nH+]c12.
What is the InChIKey of 2-phenyl-4-pyrrolidin-1-yl-8-(trifluoromethyl)quinolin-1-ium?
The InChIKey is FWHFCFPVTSBGIO-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H17F3N2/c21-20(22,23)16-10-6-9-15-18(25-11-4-5-12-25)13-17(24-19(15)16)14-7-2-1-3-8-14/h1-3,6-10,13H,4-5,11-12H2/p+1.
What are the key properties of 2-phenyl-4-pyrrolidin-1-yl-8-(trifluoromethyl)quinolin-1-ium?
2-phenyl-4-pyrrolidin-1-yl-8-(trifluoromethyl)quinolin-1-ium has a molecular weight of 343.37 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-pyrrolidin-1-yl-8-(trifluoromethyl)quinolin-1-ium is sourced from PubChem (CID 7396003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).