[3-(quinoxalin-2-ylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone

C20H17F3N4O2 — CID 68972237

IUPAC[3-(quinoxalin-2-ylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccccc1OC(F)(F)F)N1CCC(Nc2cnc3ccccc3n2)C1
InChIInChI=1S/C20H17F3N4O2/c21-20(22,23)29-17-8-4-1-5-14(17)19(28)27-10-9-13(12-27)25-18-11-24-15-6-2-3-7-16(15)26-18/h1-8,11,13H,9-10,12H2,(H,25,26)
InChIKeyCHEOIOGEMSFQAB-UHFFFAOYSA-N
MW402.38 g/mol
LogP3.86
Rot. Bonds4

About [3-(quinoxalin-2-ylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone

[3-(quinoxalin-2-ylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone (PubChem CID 68972237) has the molecular formula C20H17F3N4O2 and a molecular weight of 402.38 g/mol. Its IUPAC name is [3-(quinoxalin-2-ylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[3-(quinoxalin-2-ylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
PubChem CID68972237
Molecular FormulaC20H17F3N4O2
Molecular Weight402.38 g/mol
Exact Mass402.13
IUPAC Name[3-(quinoxalin-2-ylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccccc1OC(F)(F)F)N1CCC(Nc2cnc3ccccc3n2)C1
InChIInChI=1S/C20H17F3N4O2/c21-20(22,23)29-17-8-4-1-5-14(17)19(28)27-10-9-13(12-27)25-18-11-24-15-6-2-3-7-16(15)26-18/h1-8,11,13H,9-10,12H2,(H,25,26)
InChIKeyCHEOIOGEMSFQAB-UHFFFAOYSA-N
XLogP3.86
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(quinoxalin-2-ylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]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

[3-[(6,7-difluoroquinoxalin-2-yl)amino]pyrrolidin-1-yl]-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone
CID 74829936
[3-[(7-chloroquinoxalin-2-yl)amino]pyrrolidin-1-yl]-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone
CID 74834650
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 172646299
[(3R)-3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 42641277
[(3R)-3-(quinoxalin-2-ylamino)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 134503247
(4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone
CID 111463148
[(3R)-3-[(6,7-difluoro-1,3-benzoxazol-2-yl)amino]pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone;6,7-difluoro-N-[(3R)-pyrrolidin-3-yl]-1,3-benzoxazol-2-amine
CID 87662174
[4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 167869993
(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[3-(quinoxalin-2-ylamino)pyrrolidin-1-yl]methanone
CID 68971205
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 110023701
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 10298609
2-[(3R)-3-[(7-chloroquinoxalin-2-yl)amino]cyclopentyl]-1-[2-(trifluoromethoxy)phenyl]ethanone
CID 143823812

Frequently Asked Questions

What is the IUPAC name of [3-(quinoxalin-2-ylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [3-(quinoxalin-2-ylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone (CID 68972237) is [3-(quinoxalin-2-ylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [3-(quinoxalin-2-ylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [3-(quinoxalin-2-ylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone is O=C(c1ccccc1OC(F)(F)F)N1CCC(Nc2cnc3ccccc3n2)C1.
What is the InChIKey of [3-(quinoxalin-2-ylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The InChIKey is CHEOIOGEMSFQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2/c21-20(22,23)29-17-8-4-1-5-14(17)19(28)27-10-9-13(12-27)25-18-11-24-15-6-2-3-7-16(15)26-18/h1-8,11,13H,9-10,12H2,(H,25,26).
What are the key properties of [3-(quinoxalin-2-ylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone?
[3-(quinoxalin-2-ylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone has a molecular weight of 402.38 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(quinoxalin-2-ylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 68972237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).