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

C23H23N3O2 — CID 71149442

IUPAC7-morpholin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
SMILESO=C1c2c(cccc2N2CCOCC2)CN1CCc1ccc2ccccc2n1
InChIInChI=1S/C23H23N3O2/c27-23-22-18(5-3-7-21(22)25-12-14-28-15-13-25)16-26(23)11-10-19-9-8-17-4-1-2-6-20(17)24-19/h1-9H,10-16H2
InChIKeyQQDSLSBWIOHTOE-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.27
Rot. Bonds4

About 7-morpholin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one

7-morpholin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one (PubChem CID 71149442) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 7-morpholin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name7-morpholin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
PubChem CID71149442
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name7-morpholin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
SMILESO=C1c2c(cccc2N2CCOCC2)CN1CCc1ccc2ccccc2n1
InChIInChI=1S/C23H23N3O2/c27-23-22-18(5-3-7-21(22)25-12-14-28-15-13-25)16-26(23)11-10-19-9-8-17-4-1-2-6-20(17)24-19/h1-9H,10-16H2
InChIKeyQQDSLSBWIOHTOE-UHFFFAOYSA-N
XLogP3.27
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-piperazin-1-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149578
2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-morpholin-4-yl-3H-isoindol-1-one
CID 71149247
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-(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-[(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-(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-(2-chloro-4-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71499204

Frequently Asked Questions

What is the IUPAC name of 7-morpholin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The IUPAC name of 7-morpholin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one (CID 71149442) is 7-morpholin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one.
What is the SMILES notation for 7-morpholin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The canonical SMILES for 7-morpholin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one is O=C1c2c(cccc2N2CCOCC2)CN1CCc1ccc2ccccc2n1.
What is the InChIKey of 7-morpholin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
The InChIKey is QQDSLSBWIOHTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-23-22-18(5-3-7-21(22)25-12-14-28-15-13-25)16-26(23)11-10-19-9-8-17-4-1-2-6-20(17)24-19/h1-9H,10-16H2.
What are the key properties of 7-morpholin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one?
7-morpholin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one has a molecular weight of 373.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one is sourced from PubChem (CID 71149442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).