(3-quinoxalin-2-yloxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone

C19H14F3N3O2 — CID 126852274

IUPAC(3-quinoxalin-2-yloxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1F)N1CCC(Oc2cnc3ccccc3n2)C1
InChIInChI=1S/C19H14F3N3O2/c20-13-6-5-12(17(21)18(13)22)19(26)25-8-7-11(10-25)27-16-9-23-14-3-1-2-4-15(14)24-16/h1-6,9,11H,7-8,10H2
InChIKeyBDJFXXGXOYCPKJ-UHFFFAOYSA-N
MW373.33 g/mol
LogP3.34
Rot. Bonds3

About (3-quinoxalin-2-yloxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone

(3-quinoxalin-2-yloxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 126852274) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is (3-quinoxalin-2-yloxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(3-quinoxalin-2-yloxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
PubChem CID126852274
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name(3-quinoxalin-2-yloxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1F)N1CCC(Oc2cnc3ccccc3n2)C1
InChIInChI=1S/C19H14F3N3O2/c20-13-6-5-12(17(21)18(13)22)19(26)25-8-7-11(10-25)27-16-9-23-14-3-1-2-4-15(14)24-16/h1-6,9,11H,7-8,10H2
InChIKeyBDJFXXGXOYCPKJ-UHFFFAOYSA-N
XLogP3.34
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (3-quinoxalin-2-yloxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone 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-bromophenyl)-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126852268
(2,4-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559977
pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126850635
furan-3-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126854597
(2,6-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559886
1-adamantyl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559841
1-benzothiophen-2-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126850645
N-tert-butyl-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide
CID 126850655
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 100611568
(3S)-N-(2-phenylethyl)-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide
CID 164630557
quinolin-2-yl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559814
2-(4-fluorophenoxy)-1-(4-quinoxalin-2-yloxypiperidin-1-yl)ethanone
CID 90559928

Frequently Asked Questions

What is the IUPAC name of (3-quinoxalin-2-yloxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (3-quinoxalin-2-yloxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone (CID 126852274) is (3-quinoxalin-2-yloxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (3-quinoxalin-2-yloxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (3-quinoxalin-2-yloxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone is O=C(c1ccc(F)c(F)c1F)N1CCC(Oc2cnc3ccccc3n2)C1.
What is the InChIKey of (3-quinoxalin-2-yloxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is BDJFXXGXOYCPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c20-13-6-5-12(17(21)18(13)22)19(26)25-8-7-11(10-25)27-16-9-23-14-3-1-2-4-15(14)24-16/h1-6,9,11H,7-8,10H2.
What are the key properties of (3-quinoxalin-2-yloxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone?
(3-quinoxalin-2-yloxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 373.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-quinoxalin-2-yloxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 126852274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).