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

C19H17F3N4O2 — CID 71241957

IUPAC(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2cnn(C(F)(F)F)c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C19H17F3N4O2/c1-11(13-7-18(27)24-8-13)28-17-6-12(5-16-15(17)3-2-4-23-16)14-9-25-26(10-14)19(20,21)22/h2-6,9-11,13H,7-8H2,1H3,(H,24,27)/t11-,13-/m1/s1
InChIKeyCLUCLSWFPCRIKH-DGCLKSJQSA-N
MW390.37 g/mol
LogP3.48
Rot. Bonds4

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

(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 71241957) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID71241957
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2cnn(C(F)(F)F)c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C19H17F3N4O2/c1-11(13-7-18(27)24-8-13)28-17-6-12(5-16-15(17)3-2-4-23-16)14-9-25-26(10-14)19(20,21)22/h2-6,9-11,13H,7-8H2,1H3,(H,24,27)/t11-,13-/m1/s1
InChIKeyCLUCLSWFPCRIKH-DGCLKSJQSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 71241957) is (4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(-c2cnn(C(F)(F)F)c2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is CLUCLSWFPCRIKH-DGCLKSJQSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-11(13-7-18(27)24-8-13)28-17-6-12(5-16-15(17)3-2-4-23-16)14-9-25-26(10-14)19(20,21)22/h2-6,9-11,13H,7-8H2,1H3,(H,24,27)/t11-,13-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 390.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[7-[1-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71241957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).