4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline

C17H19F3N2O — CID 133402824

IUPAC4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline
SMILESCCOCC1CCN(c2ccnc3cc(C(F)(F)F)ccc23)C1
InChIInChI=1S/C17H19F3N2O/c1-2-23-11-12-6-8-22(10-12)16-5-7-21-15-9-13(17(18,19)20)3-4-14(15)16/h3-5,7,9,12H,2,6,8,10-11H2,1H3
InChIKeyVBTIJZQMLQPAKM-UHFFFAOYSA-N
MW324.35 g/mol
LogP4.12
Rot. Bonds4

About 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline

4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline (PubChem CID 133402824) has the molecular formula C17H19F3N2O and a molecular weight of 324.35 g/mol. Its IUPAC name is 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline
PubChem CID133402824
Molecular FormulaC17H19F3N2O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline
SMILESCCOCC1CCN(c2ccnc3cc(C(F)(F)F)ccc23)C1
InChIInChI=1S/C17H19F3N2O/c1-2-23-11-12-6-8-22(10-12)16-5-7-21-15-9-13(17(18,19)20)3-4-14(15)16/h3-5,7,9,12H,2,6,8,10-11H2,1H3
InChIKeyVBTIJZQMLQPAKM-UHFFFAOYSA-N
XLogP4.12
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(2-ethoxyethyl)piperazin-1-yl]-7-(trifluoromethyl)quinoline
CID 133401397
2-(methoxymethyl)-4-[7-(trifluoromethyl)quinolin-4-yl]morpholine
CID 133402379
4-[4-(2-methoxyethoxy)piperidin-1-yl]-7-(trifluoromethyl)quinoline
CID 133448497
4-[3-(2,5-dihydropyrrol-1-yl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline
CID 133402449
1-[2-ethyl-4-[7-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]propan-2-ol
CID 133401394
2-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]oxyethanol
CID 133401937
4-chloro-N-[[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methyl]aniline
CID 166336183
N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methanesulfonamide
CID 163354863
4-(3-propylpyrrolidin-1-yl)quinolin-7-amine
CID 103001744
7-[7-(trifluoromethyl)quinolin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 133412182
N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]cyclopropanesulfonamide
CID 154575895
2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]ethanol
CID 177345975

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline?
The IUPAC name of 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline (CID 133402824) is 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline?
The canonical SMILES for 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline is CCOCC1CCN(c2ccnc3cc(C(F)(F)F)ccc23)C1.
What is the InChIKey of 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline?
The InChIKey is VBTIJZQMLQPAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O/c1-2-23-11-12-6-8-22(10-12)16-5-7-21-15-9-13(17(18,19)20)3-4-14(15)16/h3-5,7,9,12H,2,6,8,10-11H2,1H3.
What are the key properties of 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline?
4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline has a molecular weight of 324.35 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethoxymethyl)pyrrolidin-1-yl]-7-(trifluoromethyl)quinoline is sourced from PubChem (CID 133402824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).