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

C19H17F3N4O2 — CID 123646249

IUPAC4-[[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCn1cc(-c2cc(OCC3CNC(=O)C3)c3cccnc3c2)c(C(F)(F)F)n1
InChIInChI=1S/C19H17F3N4O2/c1-26-9-14(18(25-26)19(20,21)22)12-6-15-13(3-2-4-23-15)16(7-12)28-10-11-5-17(27)24-8-11/h2-4,6-7,9,11H,5,8,10H2,1H3,(H,24,27)
InChIKeyYKLWUQHNJSQWHT-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.17
Rot. Bonds4

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

4-[[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 123646249) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 4-[[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one
PubChem CID123646249
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name4-[[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESCn1cc(-c2cc(OCC3CNC(=O)C3)c3cccnc3c2)c(C(F)(F)F)n1
InChIInChI=1S/C19H17F3N4O2/c1-26-9-14(18(25-26)19(20,21)22)12-6-15-13(3-2-4-23-15)16(7-12)28-10-11-5-17(27)24-8-11/h2-4,6-7,9,11H,5,8,10H2,1H3,(H,24,27)
InChIKeyYKLWUQHNJSQWHT-UHFFFAOYSA-N
XLogP3.17
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of 4-[[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one (CID 123646249) is 4-[[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one is Cn1cc(-c2cc(OCC3CNC(=O)C3)c3cccnc3c2)c(C(F)(F)F)n1.
What is the InChIKey of 4-[[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
The InChIKey is YKLWUQHNJSQWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-26-9-14(18(25-26)19(20,21)22)12-6-15-13(3-2-4-23-15)16(7-12)28-10-11-5-17(27)24-8-11/h2-4,6-7,9,11H,5,8,10H2,1H3,(H,24,27).
What are the key properties of 4-[[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one?
4-[[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 390.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 123646249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).