pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone

C18H16N4O2 — CID 126850635

IUPACpyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccncc1)N1CCC(Oc2cnc3ccccc3n2)C1
InChIInChI=1S/C18H16N4O2/c23-18(13-5-8-19-9-6-13)22-10-7-14(12-22)24-17-11-20-15-3-1-2-4-16(15)21-17/h1-6,8-9,11,14H,7,10,12H2
InChIKeyZIUHGFMYODZLAB-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.32
Rot. Bonds3

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

pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone (PubChem CID 126850635) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namepyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
PubChem CID126850635
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Namepyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccncc1)N1CCC(Oc2cnc3ccccc3n2)C1
InChIInChI=1S/C18H16N4O2/c23-18(13-5-8-19-9-6-13)22-10-7-14(12-22)24-17-11-20-15-3-1-2-4-16(15)21-17/h1-6,8-9,11,14H,7,10,12H2
InChIKeyZIUHGFMYODZLAB-UHFFFAOYSA-N
XLogP2.32
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

furan-3-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126854597
(2-bromophenyl)-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126852268
(3-quinoxalin-2-yloxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 126852274
1-benzothiophen-2-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126850645
N-tert-butyl-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide
CID 126850655
(3,5-dimethoxyphenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559871
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
(3S)-N-(2-phenylethyl)-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide
CID 164630557
(2,6-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559886
quinolin-2-yl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559814
[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129491148
(4-methylthiadiazol-5-yl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559987

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone (CID 126850635) is pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone is O=C(c1ccncc1)N1CCC(Oc2cnc3ccccc3n2)C1.
What is the InChIKey of pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone?
The InChIKey is ZIUHGFMYODZLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-18(13-5-8-19-9-6-13)22-10-7-14(12-22)24-17-11-20-15-3-1-2-4-16(15)21-17/h1-6,8-9,11,14H,7,10,12H2.
What are the key properties of pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone?
pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone has a molecular weight of 320.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 126850635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).