4-(2H-pyrazin-1-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one

C23H20N4O — CID 141362106

IUPAC4-(2H-pyrazin-1-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
SMILESO=C1c2cccc(N3C=CN=CC3)c2CN1CCc1ccc2ccccc2n1
InChIInChI=1S/C23H20N4O/c28-23-19-5-3-7-22(26-14-11-24-12-15-26)20(19)16-27(23)13-10-18-9-8-17-4-1-2-6-21(17)25-18/h1-9,11-12,14H,10,13,15-16H2
InChIKeyANPZDZRQPHGMIC-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.80
Rot. Bonds4

About 4-(2H-pyrazin-1-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one

4-(2H-pyrazin-1-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one (PubChem CID 141362106) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-(2H-pyrazin-1-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name4-(2H-pyrazin-1-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
PubChem CID141362106
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name4-(2H-pyrazin-1-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
SMILESO=C1c2cccc(N3C=CN=CC3)c2CN1CCc1ccc2ccccc2n1
InChIInChI=1S/C23H20N4O/c28-23-19-5-3-7-22(26-14-11-24-12-15-26)20(19)16-27(23)13-10-18-9-8-17-4-1-2-6-21(17)25-18/h1-9,11-12,14H,10,13,15-16H2
InChIKeyANPZDZRQPHGMIC-UHFFFAOYSA-N
XLogP3.80
TPSA48.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-oxo-2-(2-quinolin-2-ylethyl)-3H-isoindol-4-yl]thiomorpholine-2,3-dione
CID 71152379
4-(2-methyl-1,3-thiazol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149492
4-bromo-2-[2-(1,5-naphthyridin-2-yl)ethyl]-3H-isoindol-1-one
CID 67517926
7-(2,3-dimethoxyphenyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149516
7-isoquinolin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149889
7-morpholin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149442
7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149739
7-piperazin-1-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149578
5-[3-oxo-2-(2-quinolin-2-ylethyl)-1H-isoindol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 71149359
7-(1,3-benzodioxol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149628
7-(5-methyl-2-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149153
7-(2-chloro-4-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71499204

Frequently Asked Questions

What is the IUPAC name of 4-(2H-pyrazin-1-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The IUPAC name of 4-(2H-pyrazin-1-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one (CID 141362106) is 4-(2H-pyrazin-1-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one.
What is the SMILES notation for 4-(2H-pyrazin-1-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The canonical SMILES for 4-(2H-pyrazin-1-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one is O=C1c2cccc(N3C=CN=CC3)c2CN1CCc1ccc2ccccc2n1.
What is the InChIKey of 4-(2H-pyrazin-1-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The InChIKey is ANPZDZRQPHGMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c28-23-19-5-3-7-22(26-14-11-24-12-15-26)20(19)16-27(23)13-10-18-9-8-17-4-1-2-6-21(17)25-18/h1-9,11-12,14H,10,13,15-16H2.
What are the key properties of 4-(2H-pyrazin-1-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
4-(2H-pyrazin-1-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one has a molecular weight of 368.44 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-pyrazin-1-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one is sourced from PubChem (CID 141362106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).