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

C21H15N3O — CID 154006104

IUPAC2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-2-ylethanone
SMILESO=C(CC1c2ccccc2-c2cncn21)c1ccc2ccccc2n1
InChIInChI=1S/C21H15N3O/c25-21(18-10-9-14-5-1-4-8-17(14)23-18)11-19-15-6-2-3-7-16(15)20-12-22-13-24(19)20/h1-10,12-13,19H,11H2
InChIKeyWFEIOAZOJWMWJD-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.27
Rot. Bonds3

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

2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-2-ylethanone (PubChem CID 154006104) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-2-ylethanone.

Molecular Properties

Compound Name2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-2-ylethanone
PubChem CID154006104
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC Name2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-2-ylethanone
SMILESO=C(CC1c2ccccc2-c2cncn21)c1ccc2ccccc2n1
InChIInChI=1S/C21H15N3O/c25-21(18-10-9-14-5-1-4-8-17(14)23-18)11-19-15-6-2-3-7-16(15)20-12-22-13-24(19)20/h1-10,12-13,19H,11H2
InChIKeyWFEIOAZOJWMWJD-UHFFFAOYSA-N
XLogP4.27
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinoxalin-2-ylethanone
CID 154006106
1-(1-adamantyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanone
CID 138962007
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
1-(6-fluoro-2-phenyl-1-benzofuran-5-yl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone
CID 154006073
5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-methylbicyclo[3.2.2]nonane-1-carboxamide
CID 145402398
5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-propan-2-ylbicyclo[3.2.2]nonane-1-carboxamide
CID 145402295
1-phenyl-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanone
CID 118916984
N-[4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-1-bicyclo[2.2.2]octanyl]-2-phenylacetamide
CID 145402278
1-cyclopropyl-3-[4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-1-bicyclo[2.2.2]octanyl]urea
CID 163682818
2-amino-1-quinolin-2-ylethanone
CID 23532024
1,1-dicyclohexyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea
CID 145351818

Frequently Asked Questions

What is the IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-2-ylethanone?
The IUPAC name of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-2-ylethanone (CID 154006104) is 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-2-ylethanone.
What is the SMILES notation for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-2-ylethanone?
The canonical SMILES for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-2-ylethanone is O=C(CC1c2ccccc2-c2cncn21)c1ccc2ccccc2n1.
What is the InChIKey of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-2-ylethanone?
The InChIKey is WFEIOAZOJWMWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O/c25-21(18-10-9-14-5-1-4-8-17(14)23-18)11-19-15-6-2-3-7-16(15)20-12-22-13-24(19)20/h1-10,12-13,19H,11H2.
What are the key properties of 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-2-ylethanone?
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-2-ylethanone has a molecular weight of 325.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-quinolin-2-ylethanone is sourced from PubChem (CID 154006104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).