7-piperazin-1-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one

C23H24N4O — CID 71149578

IUPAC7-piperazin-1-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
SMILESO=C1c2c(cccc2N2CCNCC2)CN1CCc1ccc2ccccc2n1
InChIInChI=1S/C23H24N4O/c28-23-22-18(5-3-7-21(22)26-14-11-24-12-15-26)16-27(23)13-10-19-9-8-17-4-1-2-6-20(17)25-19/h1-9,24H,10-16H2
InChIKeyIKIYGNVNAAVPKO-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.84
Rot. Bonds4

About 7-piperazin-1-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one

7-piperazin-1-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one (PubChem CID 71149578) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 7-piperazin-1-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name7-piperazin-1-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
PubChem CID71149578
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name7-piperazin-1-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
SMILESO=C1c2c(cccc2N2CCNCC2)CN1CCc1ccc2ccccc2n1
InChIInChI=1S/C23H24N4O/c28-23-22-18(5-3-7-21(22)26-14-11-24-12-15-26)16-27(23)13-10-19-9-8-17-4-1-2-6-20(17)25-19/h1-9,24H,10-16H2
InChIKeyIKIYGNVNAAVPKO-UHFFFAOYSA-N
XLogP2.84
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-morpholin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149442
7-[(3aS,8aR)-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-c]azepin-2-yl]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149323
7-[(3aS,8aS)-3,3a,4,5,6,7,8,8a-octahydro-1H-pyrrolo[3,4-c]azepin-2-yl]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149266
7-isoquinolin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149889
7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149739
7-[(1S,4S)-5-(4-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149253
7-(2,3-dimethoxyphenyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149516
7-(2,3-dihydro-1H-indol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 141362065
7-(1,3-benzodioxol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149628
5-[3-oxo-2-(2-quinolin-2-ylethyl)-1H-isoindol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 71149359
7-(5-methyl-2-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149153
7-(2-methoxypyrimidin-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149254

Frequently Asked Questions

What is the IUPAC name of 7-piperazin-1-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The IUPAC name of 7-piperazin-1-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one (CID 71149578) is 7-piperazin-1-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one.
What is the SMILES notation for 7-piperazin-1-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The canonical SMILES for 7-piperazin-1-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one is O=C1c2c(cccc2N2CCNCC2)CN1CCc1ccc2ccccc2n1.
What is the InChIKey of 7-piperazin-1-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The InChIKey is IKIYGNVNAAVPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c28-23-22-18(5-3-7-21(22)26-14-11-24-12-15-26)16-27(23)13-10-19-9-8-17-4-1-2-6-20(17)25-19/h1-9,24H,10-16H2.
What are the key properties of 7-piperazin-1-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
7-piperazin-1-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one has a molecular weight of 372.47 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperazin-1-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one is sourced from PubChem (CID 71149578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).