7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one

C28H21N3O — CID 71149739

IUPAC7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
SMILESO=C1c2c(cccc2-c2cccc3ncccc23)CN1CCc1ccc2ccccc2n1
InChIInChI=1S/C28H21N3O/c32-28-27-20(7-3-9-24(27)22-8-4-12-26-23(22)10-5-16-29-26)18-31(28)17-15-21-14-13-19-6-1-2-11-25(19)30-21/h1-14,16H,15,17-18H2
InChIKeyHQKVLBSZGRHEGU-UHFFFAOYSA-N
MW415.50 g/mol
LogP5.65
Rot. Bonds4

About 7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one

7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one (PubChem CID 71149739) has the molecular formula C28H21N3O and a molecular weight of 415.50 g/mol. Its IUPAC name is 7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
PubChem CID71149739
Molecular FormulaC28H21N3O
Molecular Weight415.50 g/mol
Exact Mass415.17
IUPAC Name7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
SMILESO=C1c2c(cccc2-c2cccc3ncccc23)CN1CCc1ccc2ccccc2n1
InChIInChI=1S/C28H21N3O/c32-28-27-20(7-3-9-24(27)22-8-4-12-26-23(22)10-5-16-29-26)18-31(28)17-15-21-14-13-19-6-1-2-11-25(19)30-21/h1-14,16H,15,17-18H2
InChIKeyHQKVLBSZGRHEGU-UHFFFAOYSA-N
XLogP5.65
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.50
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-(2-chloro-4-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71499204
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
7-(4-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71150097
7-[(2-methyl-3-pyridinyl)methoxy]-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149236
7-(6-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149812
7-(2,3-dihydro-1H-indol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 141362065
7-(2-chloro-4-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one;2,2,2-trifluoroacetic acid
CID 89314281
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

Frequently Asked Questions

What is the IUPAC name of 7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The IUPAC name of 7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one (CID 71149739) is 7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one.
What is the SMILES notation for 7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The canonical SMILES for 7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one is O=C1c2c(cccc2-c2cccc3ncccc23)CN1CCc1ccc2ccccc2n1.
What is the InChIKey of 7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The InChIKey is HQKVLBSZGRHEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O/c32-28-27-20(7-3-9-24(27)22-8-4-12-26-23(22)10-5-16-29-26)18-31(28)17-15-21-14-13-19-6-1-2-11-25(19)30-21/h1-14,16H,15,17-18H2.
What are the key properties of 7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one has a molecular weight of 415.50 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one is sourced from PubChem (CID 71149739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).