1-benzothiophen-2-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone

C21H17N3O2S — CID 126850645

IUPAC1-benzothiophen-2-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1cc2ccccc2s1)N1CCC(Oc2cnc3ccccc3n2)C1
InChIInChI=1S/C21H17N3O2S/c25-21(19-11-14-5-1-4-8-18(14)27-19)24-10-9-15(13-24)26-20-12-22-16-6-2-3-7-17(16)23-20/h1-8,11-12,15H,9-10,13H2
InChIKeyJPZFHXAEVKHZTK-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.14
Rot. Bonds3

About 1-benzothiophen-2-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone

1-benzothiophen-2-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone (PubChem CID 126850645) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
PubChem CID126850645
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Name1-benzothiophen-2-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1cc2ccccc2s1)N1CCC(Oc2cnc3ccccc3n2)C1
InChIInChI=1S/C21H17N3O2S/c25-21(19-11-14-5-1-4-8-18(14)27-19)24-10-9-15(13-24)26-20-12-22-16-6-2-3-7-17(16)23-20/h1-8,11-12,15H,9-10,13H2
InChIKeyJPZFHXAEVKHZTK-UHFFFAOYSA-N
XLogP4.14
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-benzothiophen-2-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)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

1-benzothiophen-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626691
pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126850635
N-tert-butyl-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide
CID 126850655
(2-bromophenyl)-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126852268
furan-3-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126854597
1-benzothiophen-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122160949
(3-quinoxalin-2-yloxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 126852274
1-benzothiophen-2-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261508
(3S)-N-(2-phenylethyl)-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide
CID 164630557
1-benzothiophen-2-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 91815946
quinolin-2-yl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559814
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 129355538

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of 1-benzothiophen-2-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone (CID 126850645) is 1-benzothiophen-2-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for 1-benzothiophen-2-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone is O=C(c1cc2ccccc2s1)N1CCC(Oc2cnc3ccccc3n2)C1.
What is the InChIKey of 1-benzothiophen-2-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone?
The InChIKey is JPZFHXAEVKHZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c25-21(19-11-14-5-1-4-8-18(14)27-19)24-10-9-15(13-24)26-20-12-22-16-6-2-3-7-17(16)23-20/h1-8,11-12,15H,9-10,13H2.
What are the key properties of 1-benzothiophen-2-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone?
1-benzothiophen-2-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone has a molecular weight of 375.45 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 126850645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).