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

C27H23N3O — CID 141362065

IUPAC7-(2,3-dihydro-1H-indol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
SMILESO=C1c2c(cccc2-c2ccc3c(c2)CCN3)CN1CCc1ccc2ccccc2n1
InChIInChI=1S/C27H23N3O/c31-27-26-21(5-3-6-23(26)19-9-11-24-20(16-19)12-14-28-24)17-30(27)15-13-22-10-8-18-4-1-2-7-25(18)29-22/h1-11,16,28H,12-15,17H2
InChIKeyQWOJJGSUCLHODZ-UHFFFAOYSA-N
MW405.50 g/mol
LogP5.07
Rot. Bonds4

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

7-(2,3-dihydro-1H-indol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one (PubChem CID 141362065) has the molecular formula C27H23N3O and a molecular weight of 405.50 g/mol. Its IUPAC name is 7-(2,3-dihydro-1H-indol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name7-(2,3-dihydro-1H-indol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
PubChem CID141362065
Molecular FormulaC27H23N3O
Molecular Weight405.50 g/mol
Exact Mass405.18
IUPAC Name7-(2,3-dihydro-1H-indol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
SMILESO=C1c2c(cccc2-c2ccc3c(c2)CCN3)CN1CCc1ccc2ccccc2n1
InChIInChI=1S/C27H23N3O/c31-27-26-21(5-3-6-23(26)19-9-11-24-20(16-19)12-14-28-24)17-30(27)15-13-22-10-8-18-4-1-2-7-25(18)29-22/h1-11,16,28H,12-15,17H2
InChIKeyQWOJJGSUCLHODZ-UHFFFAOYSA-N
XLogP5.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(2,3-dihydro-1H-indol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one with MolForge

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Related Compounds

5-[3-oxo-2-(2-quinolin-2-ylethyl)-1H-isoindol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 71149359
7-(2-chloro-4-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71499204
7-(1,3-benzodioxol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149628
7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149739
7-(6-methoxy-3-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149812
7-(2-methoxypyrimidin-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149254
7-isoquinolin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149889
6-[3-oxo-2-(2-quinolin-2-ylethyl)-1H-isoindol-4-yl]-3H-quinazolin-4-one;2,2,2-trifluoroacetic acid
CID 136618015
7-(2-chloro-4-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one;2,2,2-trifluoroacetic acid
CID 89314281
7-(3-fluoro-5-methoxyphenyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149822
7-(2,3-dimethoxyphenyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149516
7-piperazin-1-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149578

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydro-1H-indol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The IUPAC name of 7-(2,3-dihydro-1H-indol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one (CID 141362065) is 7-(2,3-dihydro-1H-indol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one.
What is the SMILES notation for 7-(2,3-dihydro-1H-indol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The canonical SMILES for 7-(2,3-dihydro-1H-indol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one is O=C1c2c(cccc2-c2ccc3c(c2)CCN3)CN1CCc1ccc2ccccc2n1.
What is the InChIKey of 7-(2,3-dihydro-1H-indol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The InChIKey is QWOJJGSUCLHODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O/c31-27-26-21(5-3-6-23(26)19-9-11-24-20(16-19)12-14-28-24)17-30(27)15-13-22-10-8-18-4-1-2-7-25(18)29-22/h1-11,16,28H,12-15,17H2.
What are the key properties of 7-(2,3-dihydro-1H-indol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
7-(2,3-dihydro-1H-indol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one has a molecular weight of 405.50 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydro-1H-indol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one is sourced from PubChem (CID 141362065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).