2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-quinoxalin-5-ylethanone

C18H14N2O — CID 105112421

IUPAC2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-quinoxalin-5-ylethanone
SMILESO=C(CC1Cc2ccccc21)c1cccc2nccnc12
InChIInChI=1S/C18H14N2O/c21-17(11-13-10-12-4-1-2-5-14(12)13)15-6-3-7-16-18(15)20-9-8-19-16/h1-9,13H,10-11H2
InChIKeyMPARKIUPHOAFND-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.54
Rot. Bonds3

About 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-quinoxalin-5-ylethanone

2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-quinoxalin-5-ylethanone (PubChem CID 105112421) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-quinoxalin-5-ylethanone.

Molecular Properties

Compound Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-quinoxalin-5-ylethanone
PubChem CID105112421
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-quinoxalin-5-ylethanone
SMILESO=C(CC1Cc2ccccc21)c1cccc2nccnc12
InChIInChI=1S/C18H14N2O/c21-17(11-13-10-12-4-1-2-5-14(12)13)15-6-3-7-16-18(15)20-9-8-19-16/h1-9,13H,10-11H2
InChIKeyMPARKIUPHOAFND-UHFFFAOYSA-N
XLogP3.54
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminophenyl)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethanone
CID 66417221
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-iodophenyl)ethanone
CID 115780262
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(1,2,3,4-tetrahydroisoquinolin-5-yl)ethanone
CID 116612545
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-thiophen-2-ylethanone
CID 66419552
3-cyclopentyl-1-quinoxalin-5-ylpropan-1-one
CID 114192891
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanone
CID 103124878
1-quinoxalin-5-ylbut-3-en-1-one
CID 105083186
2-pyridin-4-yl-1-quinoxalin-5-ylethanone
CID 105110514
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-pyridin-2-ylpropan-2-one
CID 66417796
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-bromo-5-iodophenyl)ethanone
CID 114026848
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 115780164
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(furan-3-yl)ethanone
CID 66419755

Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-quinoxalin-5-ylethanone?
The IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-quinoxalin-5-ylethanone (CID 105112421) is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-quinoxalin-5-ylethanone.
What is the SMILES notation for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-quinoxalin-5-ylethanone?
The canonical SMILES for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-quinoxalin-5-ylethanone is O=C(CC1Cc2ccccc21)c1cccc2nccnc12.
What is the InChIKey of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-quinoxalin-5-ylethanone?
The InChIKey is MPARKIUPHOAFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c21-17(11-13-10-12-4-1-2-5-14(12)13)15-6-3-7-16-18(15)20-9-8-19-16/h1-9,13H,10-11H2.
What are the key properties of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-quinoxalin-5-ylethanone?
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-quinoxalin-5-ylethanone has a molecular weight of 274.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-quinoxalin-5-ylethanone is sourced from PubChem (CID 105112421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).