2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione

C18H22N2O4 — CID 3620620

IUPAC2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)N1CCOCC1
InChIInChI=1S/C18H22N2O4/c21-16(19-10-12-24-13-11-19)8-2-1-5-9-20-17(22)14-6-3-4-7-15(14)18(20)23/h3-4,6-7H,1-2,5,8-13H2
InChIKeyHUYDGYGVGBROGI-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.70
Rot. Bonds6

About 2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione

2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione (PubChem CID 3620620) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione
PubChem CID3620620
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)N1CCOCC1
InChIInChI=1S/C18H22N2O4/c21-16(19-10-12-24-13-11-19)8-2-1-5-9-20-17(22)14-6-3-4-7-15(14)18(20)23/h3-4,6-7H,1-2,5,8-13H2
InChIKeyHUYDGYGVGBROGI-UHFFFAOYSA-N
XLogP1.70
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(3-morpholin-4-yl-3-oxopropyl)isoindole-1,3-dione
CID 594743
(2-morpholin-4-yl-2-oxoethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9363317
2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione
CID 802386
2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133
2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione
CID 2829028
2-[11-(4-benzylpiperazin-1-yl)-11-oxoundecyl]isoindole-1,3-dione
CID 3365710
2-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione
CID 46674460
2-[6-[4-(furan-2-ylmethyl)piperazin-1-yl]-6-oxohexyl]isoindole-1,3-dione
CID 19572432
2-[4-(4-methoxypiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 110725297
2-[3-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 110284700
2-[6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-oxohexyl]isoindole-1,3-dione
CID 19325444
2-[3-[4-(4-chlorobutanoyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 108568447

Frequently Asked Questions

What is the IUPAC name of 2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione?
The IUPAC name of 2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione (CID 3620620) is 2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione?
The canonical SMILES for 2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione is O=C(CCCCCN1C(=O)c2ccccc2C1=O)N1CCOCC1.
What is the InChIKey of 2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione?
The InChIKey is HUYDGYGVGBROGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-16(19-10-12-24-13-11-19)8-2-1-5-9-20-17(22)14-6-3-4-7-15(14)18(20)23/h3-4,6-7H,1-2,5,8-13H2.
What are the key properties of 2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione?
2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione has a molecular weight of 330.38 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione is sourced from PubChem (CID 3620620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).