2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinoxalin-2-ylethanone

C20H14N4O — CID 154006106

IUPAC2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinoxalin-2-ylethanone
SMILESO=C(CC1c2ccccc2-c2cncn21)c1cnc2ccccc2n1
InChIInChI=1S/C20H14N4O/c25-20(17-10-22-15-7-3-4-8-16(15)23-17)9-18-13-5-1-2-6-14(13)19-11-21-12-24(18)19/h1-8,10-12,18H,9H2
InChIKeySNPTYEBNICRUBP-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.67
Rot. Bonds3

About 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinoxalin-2-ylethanone

2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinoxalin-2-ylethanone (PubChem CID 154006106) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinoxalin-2-ylethanone.

Molecular Properties

Compound Name2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinoxalin-2-ylethanone
PubChem CID154006106
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinoxalin-2-ylethanone
SMILESO=C(CC1c2ccccc2-c2cncn21)c1cnc2ccccc2n1
InChIInChI=1S/C20H14N4O/c25-20(17-10-22-15-7-3-4-8-16(15)23-17)9-18-13-5-1-2-6-14(13)19-11-21-12-24(18)19/h1-8,10-12,18H,9H2
InChIKeySNPTYEBNICRUBP-UHFFFAOYSA-N
XLogP3.67
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-6-ylethanone
CID 154006094
1-(1-adamantyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanone
CID 138962007
2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(oxan-4-yl)ethanone
CID 124647339
4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]bicyclo[2.2.2]octane-1-carboxamide
CID 145402347
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-piperidin-4-ylethanone
CID 122628175
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)ethanone
CID 169436950
5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-methylbicyclo[3.2.2]nonane-1-carboxamide
CID 145402398
1-(6-fluoro-2-phenyl-1-benzofuran-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone
CID 154006073
(NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]nitrous amide
CID 118857872
5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-propan-2-ylbicyclo[3.2.2]nonane-1-carboxamide
CID 145402295
4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-(pyridin-2-ylmethyl)bicyclo[2.2.2]octane-1-carboxamide
CID 145402479
N-[4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-1-bicyclo[2.2.2]octanyl]-2-phenylacetamide
CID 145402278

Frequently Asked Questions

What is the IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinoxalin-2-ylethanone?
The IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinoxalin-2-ylethanone (CID 154006106) is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinoxalin-2-ylethanone.
What is the SMILES notation for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinoxalin-2-ylethanone?
The canonical SMILES for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinoxalin-2-ylethanone is O=C(CC1c2ccccc2-c2cncn21)c1cnc2ccccc2n1.
What is the InChIKey of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinoxalin-2-ylethanone?
The InChIKey is SNPTYEBNICRUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O/c25-20(17-10-22-15-7-3-4-8-16(15)23-17)9-18-13-5-1-2-6-14(13)19-11-21-12-24(18)19/h1-8,10-12,18H,9H2.
What are the key properties of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinoxalin-2-ylethanone?
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinoxalin-2-ylethanone has a molecular weight of 326.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinoxalin-2-ylethanone is sourced from PubChem (CID 154006106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).