2'-(2-morpholin-4-ylethyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione

C19H24N2O3 — CID 22769302

IUPAC2'-(2-morpholin-4-ylethyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione
SMILESO=C1c2ccccc2C2(CCCC2)C(=O)N1CCN1CCOCC1
InChIInChI=1S/C19H24N2O3/c22-17-15-5-1-2-6-16(15)19(7-3-4-8-19)18(23)21(17)10-9-20-11-13-24-14-12-20/h1-2,5-6H,3-4,7-14H2
InChIKeyWMWODGNHFONVAF-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.81
Rot. Bonds3

About 2'-(2-morpholin-4-ylethyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione

2'-(2-morpholin-4-ylethyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione (PubChem CID 22769302) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2'-(2-morpholin-4-ylethyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione.

Molecular Properties

Compound Name2'-(2-morpholin-4-ylethyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione
PubChem CID22769302
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2'-(2-morpholin-4-ylethyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione
SMILESO=C1c2ccccc2C2(CCCC2)C(=O)N1CCN1CCOCC1
InChIInChI=1S/C19H24N2O3/c22-17-15-5-1-2-6-16(15)19(7-3-4-8-19)18(23)21(17)10-9-20-11-13-24-14-12-20/h1-2,5-6H,3-4,7-14H2
InChIKeyWMWODGNHFONVAF-UHFFFAOYSA-N
XLogP1.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1',3'-dioxospiro[cyclopentane-1,4'-isoquinoline]-2'-yl)acetonitrile
CID 22763131
2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133
2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione;hydrochloride
CID 54688737
18-methoxy-4-[2-(18-methoxy-25-oxo-7,10,13,16-tetraoxa-1,4-diazatricyclo[16.7.0.019,24]pentacosa-19,21,23-trien-4-yl)ethyl]-7,10,13,16-tetraoxa-1,4-diazatricyclo[16.7.0.019,24]pentacosa-19,21,23-trien-25-one
CID 23658911
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108874898
2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4629546
2'-[3-(dimethylamino)propyl]-4-hydroxyspiro[cyclohexane-1,4'-isoquinoline]-1',3'-dione
CID 70625430
2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-4,4-dimethylisoquinoline-1,3-dione
CID 10873758
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108889443
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4,4-dimethylisoquinoline-1,3-dione;trihydrochloride
CID 141131437
1-methyl-1'-(2-methyl-2-morpholin-4-ylpropyl)spiro[indole-3,3'-piperidine]-2-one
CID 56895106
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108874905

Frequently Asked Questions

What is the IUPAC name of 2'-(2-morpholin-4-ylethyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione?
The IUPAC name of 2'-(2-morpholin-4-ylethyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione (CID 22769302) is 2'-(2-morpholin-4-ylethyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione.
What is the SMILES notation for 2'-(2-morpholin-4-ylethyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione?
The canonical SMILES for 2'-(2-morpholin-4-ylethyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione is O=C1c2ccccc2C2(CCCC2)C(=O)N1CCN1CCOCC1.
What is the InChIKey of 2'-(2-morpholin-4-ylethyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione?
The InChIKey is WMWODGNHFONVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-17-15-5-1-2-6-16(15)19(7-3-4-8-19)18(23)21(17)10-9-20-11-13-24-14-12-20/h1-2,5-6H,3-4,7-14H2.
What are the key properties of 2'-(2-morpholin-4-ylethyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione?
2'-(2-morpholin-4-ylethyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione has a molecular weight of 328.41 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(2-morpholin-4-ylethyl)spiro[cyclopentane-1,4'-isoquinoline]-1',3'-dione is sourced from PubChem (CID 22769302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).