2-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]quinoline

C20H17F3N2 — CID 3784173

IUPAC2-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]quinoline
SMILESFC(F)(F)c1cccc(-c2cc3ccccc3nc2N2CCCC2)c1
InChIInChI=1S/C20H17F3N2/c21-20(22,23)16-8-5-7-14(12-16)17-13-15-6-1-2-9-18(15)24-19(17)25-10-3-4-11-25/h1-2,5-9,12-13H,3-4,10-11H2
InChIKeyUEIYVLXALVWVFK-UHFFFAOYSA-N
MW342.36 g/mol
LogP5.52
Rot. Bonds2

About 2-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]quinoline

2-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]quinoline (PubChem CID 3784173) has the molecular formula C20H17F3N2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]quinoline.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]quinoline
PubChem CID3784173
Molecular FormulaC20H17F3N2
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name2-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]quinoline
SMILESFC(F)(F)c1cccc(-c2cc3ccccc3nc2N2CCCC2)c1
InChIInChI=1S/C20H17F3N2/c21-20(22,23)16-8-5-7-14(12-16)17-13-15-6-1-2-9-18(15)24-19(17)25-10-3-4-11-25/h1-2,5-9,12-13H,3-4,10-11H2
InChIKeyUEIYVLXALVWVFK-UHFFFAOYSA-N
XLogP5.52
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.36
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-2-(1-piperidinyl)quinoline
CID 230710
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
Neocryptolepine
CID 390526
N-Methylquipazine
CID 5013
Importazole
CID 2949965
5,11-Dimethyl-5H-indolo(2,3-b)quinoline
CID 133982
6-(4-Methyl-piperazin-1-yl)-phenanthridine
CID 9993659
2-(4-Propyl-piperazin-1-yl)-quinoline
CID 11370427
N,N-dimethylquinolin-2-amine
CID 588801
1-(2-Methylphenyl)-4-methylamino-6-methyl-2,3-dihydropyrrolo(3,2-c)quinoline
CID 3081211
2-[4-(1-Ethyl-propyl)-piperazin-1-yl]-quinoline
CID 11314275
2-(4-Cyclopropyl-piperazin-1-yl)-quinoline
CID 11324846

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]quinoline?
The IUPAC name of 2-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]quinoline (CID 3784173) is 2-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]quinoline.
What is the SMILES notation for 2-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]quinoline?
The canonical SMILES for 2-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]quinoline is FC(F)(F)c1cccc(-c2cc3ccccc3nc2N2CCCC2)c1.
What is the InChIKey of 2-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]quinoline?
The InChIKey is UEIYVLXALVWVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2/c21-20(22,23)16-8-5-7-14(12-16)17-13-15-6-1-2-9-18(15)24-19(17)25-10-3-4-11-25/h1-2,5-9,12-13H,3-4,10-11H2.
What are the key properties of 2-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]quinoline?
2-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]quinoline has a molecular weight of 342.36 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]quinoline is sourced from PubChem (CID 3784173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).