4-[1-[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one

C20H19F3N4O2 — CID 78045130

IUPAC4-[1-[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(Oc1cc(-c2cn(C)nc2C(F)(F)F)cc2ncccc12)C1CNC(=O)C1
InChIInChI=1S/C20H19F3N4O2/c1-11(13-8-18(28)25-9-13)29-17-7-12(6-16-14(17)4-3-5-24-16)15-10-27(2)26-19(15)20(21,22)23/h3-7,10-11,13H,8-9H2,1-2H3,(H,25,28)
InChIKeyHSCNJCJFJLKFIZ-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.56
Rot. Bonds4

About 4-[1-[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one

4-[1-[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 78045130) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 4-[1-[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID78045130
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name4-[1-[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(Oc1cc(-c2cn(C)nc2C(F)(F)F)cc2ncccc12)C1CNC(=O)C1
InChIInChI=1S/C20H19F3N4O2/c1-11(13-8-18(28)25-9-13)29-17-7-12(6-16-14(17)4-3-5-24-16)15-10-27(2)26-19(15)20(21,22)23/h3-7,10-11,13H,8-9H2,1-2H3,(H,25,28)
InChIKeyHSCNJCJFJLKFIZ-UHFFFAOYSA-N
XLogP3.56
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one 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

2,2,2-trifluoro-N-((1R,2S)-1-(1-(4-fluorophenyl)-1H-indazol-5-yloxy)-1-(quinolin-3-yl)propan-2-yl)acetamide
CID 59339621
N-{4-methyl-3-[2-methyl-4-(2-methyl-2H-pyrazol-3-yl)-quinolin-8-yloxymethyl]-pyridin-2-ylmethyl}-isobutyramide
CID 44190581
(R)-4-{(R)-1-[7-(5-Trifluoromethyl-pyridin-2-yl)-quinolin-5-yloxy]-ethyl}-pyrrolidin-2-one
CID 71237760
(4R)-4-[(1R)-1-[7-(6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71237900
(R)-4-((R)-1-(7-phenylquinolin-5-yloxy)ethyl)pyrrolidin-2-one
CID 71237983
(R)-4-((R)-1-(7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yloxy)ethyl)pyrrolidin-2-one
CID 71238155
(R)-4-((R)-1-(6,7'-biquinolin-5'-yloxy)ethyl)pyrrolidin-2-one
CID 71238173
(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71238417
2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate
CID 71238651
(4R)-4-[(1R)-1-[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241892
(4R)-4-[(1R)-1-[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241896
(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
CID 71241906

Frequently Asked Questions

What is the IUPAC name of 4-[1-[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 4-[1-[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 78045130) is 4-[1-[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is CC(Oc1cc(-c2cn(C)nc2C(F)(F)F)cc2ncccc12)C1CNC(=O)C1.
What is the InChIKey of 4-[1-[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is HSCNJCJFJLKFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-11(13-8-18(28)25-9-13)29-17-7-12(6-16-14(17)4-3-5-24-16)15-10-27(2)26-19(15)20(21,22)23/h3-7,10-11,13H,8-9H2,1-2H3,(H,25,28).
What are the key properties of 4-[1-[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
4-[1-[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 404.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 78045130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).