2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione

C19H16N2O4 — CID 4933006

IUPAC2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione
SMILESO=C(c1ccccc1N1C(=O)c2ccccc2C1=O)N1CCOCC1
InChIInChI=1S/C19H16N2O4/c22-17(20-9-11-25-12-10-20)15-7-3-4-8-16(15)21-18(23)13-5-1-2-6-14(13)19(21)24/h1-8H,9-12H2
InChIKeyYDEZPEWHOOBTBX-UHFFFAOYSA-N
MW336.35 g/mol
LogP1.96
Rot. Bonds2

About 2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione

2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione (PubChem CID 4933006) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione
PubChem CID4933006
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione
SMILESO=C(c1ccccc1N1C(=O)c2ccccc2C1=O)N1CCOCC1
InChIInChI=1S/C19H16N2O4/c22-17(20-9-11-25-12-10-20)15-7-3-4-8-16(15)21-18(23)13-5-1-2-6-14(13)19(21)24/h1-8H,9-12H2
InChIKeyYDEZPEWHOOBTBX-UHFFFAOYSA-N
XLogP1.96
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.96
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-(morpholine-4-carbonyl)phenyl]benzo[de]isoquinoline-1,3-dione
CID 1099760
2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione
CID 168517823
1-[2-(morpholine-4-carbonyl)phenyl]pyridin-2-one
CID 6425155
2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione
CID 2813240
4-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 70218339
2-[2-(morpholine-4-carbonyl)phenyl]-1,2-benzothiazol-3-one
CID 16749998
3-(1,3-dioxoisoindol-2-yl)-N-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]benzamide
CID 166384365
2-(morpholine-4-carbonyl)benzonitrile
CID 11378923
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
4-(morpholine-4-carbonyl)isochromen-1-one
CID 10467730
ethyl 1-[2-(1,3-dioxoisoindol-2-yl)benzoyl]piperidine-3-carboxylate
CID 168518356
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473

Frequently Asked Questions

What is the IUPAC name of 2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione (CID 4933006) is 2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione is O=C(c1ccccc1N1C(=O)c2ccccc2C1=O)N1CCOCC1.
What is the InChIKey of 2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione?
The InChIKey is YDEZPEWHOOBTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c22-17(20-9-11-25-12-10-20)15-7-3-4-8-16(15)21-18(23)13-5-1-2-6-14(13)19(21)24/h1-8H,9-12H2.
What are the key properties of 2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione?
2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione has a molecular weight of 336.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 4933006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).