2-(2-morpholin-4-yl-2-oxoethyl)-4H-isoquinoline-1,3-dione

C15H16N2O4 — CID 17449767

IUPAC2-(2-morpholin-4-yl-2-oxoethyl)-4H-isoquinoline-1,3-dione
SMILESO=C(CN1C(=O)Cc2ccccc2C1=O)N1CCOCC1
InChIInChI=1S/C15H16N2O4/c18-13-9-11-3-1-2-4-12(11)15(20)17(13)10-14(19)16-5-7-21-8-6-16/h1-4H,5-10H2
InChIKeyIZMJUCIYKORDMS-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.07
Rot. Bonds2

About 2-(2-morpholin-4-yl-2-oxoethyl)-4H-isoquinoline-1,3-dione

2-(2-morpholin-4-yl-2-oxoethyl)-4H-isoquinoline-1,3-dione (PubChem CID 17449767) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-(2-morpholin-4-yl-2-oxoethyl)-4H-isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(2-morpholin-4-yl-2-oxoethyl)-4H-isoquinoline-1,3-dione
PubChem CID17449767
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-(2-morpholin-4-yl-2-oxoethyl)-4H-isoquinoline-1,3-dione
SMILESO=C(CN1C(=O)Cc2ccccc2C1=O)N1CCOCC1
InChIInChI=1S/C15H16N2O4/c18-13-9-11-3-1-2-4-12(11)15(20)17(13)10-14(19)16-5-7-21-8-6-16/h1-4H,5-10H2
InChIKeyIZMJUCIYKORDMS-UHFFFAOYSA-N
XLogP0.07
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.07
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-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4H-isoquinoline-1,3-dione
CID 9032718
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-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4H-isoquinoline-1,3-dione
CID 9272079
2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-4H-isoquinoline-1,3-dione
CID 9476773
2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4H-isoquinoline-1,3-dione
CID 9271198
2-(3-morpholin-4-yl-3-oxopropyl)isoindole-1,3-dione
CID 594743
2-(2-oxopropyl)-4H-isoquinoline-1,3-dione
CID 62024142
2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione
CID 3620620
2-(2-morpholin-4-yl-2-oxoethyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 736241
1-(2-morpholin-4-yl-2-oxoethyl)benzo[cd]indol-2-one
CID 894146
2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4H-isoquinoline-1,3-dione
CID 9152719
2-[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]-4H-isoquinoline-1,3-dione
CID 51471014

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)-4H-isoquinoline-1,3-dione?
The IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)-4H-isoquinoline-1,3-dione (CID 17449767) is 2-(2-morpholin-4-yl-2-oxoethyl)-4H-isoquinoline-1,3-dione.
What is the SMILES notation for 2-(2-morpholin-4-yl-2-oxoethyl)-4H-isoquinoline-1,3-dione?
The canonical SMILES for 2-(2-morpholin-4-yl-2-oxoethyl)-4H-isoquinoline-1,3-dione is O=C(CN1C(=O)Cc2ccccc2C1=O)N1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-yl-2-oxoethyl)-4H-isoquinoline-1,3-dione?
The InChIKey is IZMJUCIYKORDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-13-9-11-3-1-2-4-12(11)15(20)17(13)10-14(19)16-5-7-21-8-6-16/h1-4H,5-10H2.
What are the key properties of 2-(2-morpholin-4-yl-2-oxoethyl)-4H-isoquinoline-1,3-dione?
2-(2-morpholin-4-yl-2-oxoethyl)-4H-isoquinoline-1,3-dione has a molecular weight of 288.30 g/mol, XLogP of 0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-yl-2-oxoethyl)-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 17449767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).