2-[2-(morpholine-4-carbonyl)phenyl]benzo[de]isoquinoline-1,3-dione

C23H18N2O4 — CID 1099760

IUPAC2-[2-(morpholine-4-carbonyl)phenyl]benzo[de]isoquinoline-1,3-dione
SMILESO=C(c1ccccc1N1C(=O)c2cccc3cccc(c23)C1=O)N1CCOCC1
InChIInChI=1S/C23H18N2O4/c26-21(24-11-13-29-14-12-24)16-7-1-2-10-19(16)25-22(27)17-8-3-5-15-6-4-9-18(20(15)17)23(25)28/h1-10H,11-14H2
InChIKeyHHNYNRHMLCZPJW-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.11
Rot. Bonds2

About 2-[2-(morpholine-4-carbonyl)phenyl]benzo[de]isoquinoline-1,3-dione

2-[2-(morpholine-4-carbonyl)phenyl]benzo[de]isoquinoline-1,3-dione (PubChem CID 1099760) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-[2-(morpholine-4-carbonyl)phenyl]benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-[2-(morpholine-4-carbonyl)phenyl]benzo[de]isoquinoline-1,3-dione
PubChem CID1099760
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name2-[2-(morpholine-4-carbonyl)phenyl]benzo[de]isoquinoline-1,3-dione
SMILESO=C(c1ccccc1N1C(=O)c2cccc3cccc(c23)C1=O)N1CCOCC1
InChIInChI=1S/C23H18N2O4/c26-21(24-11-13-29-14-12-24)16-7-1-2-10-19(16)25-22(27)17-8-3-5-15-6-4-9-18(20(15)17)23(25)28/h1-10H,11-14H2
InChIKeyHHNYNRHMLCZPJW-UHFFFAOYSA-N
XLogP3.11
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.11
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]isoindole-1,3-dione
CID 4933006
2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione
CID 168517823
1-(2-morpholin-4-yl-2-oxoethyl)benzo[cd]indol-2-one
CID 894146
1-[2-(morpholine-4-carbonyl)phenyl]pyridin-2-one
CID 6425155
5-bromo-2-[4-(morpholine-4-carbonyl)phenyl]benzo[de]isoquinoline-1,3-dione
CID 1107269
2-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
CID 2870515
6-bromo-2-[4-(morpholine-4-carbonyl)phenyl]benzo[de]isoquinoline-1,3-dione
CID 1221078
2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione
CID 2813240
morpholin-4-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 17400895
2-[2-(morpholine-4-carbonyl)phenyl]-1,2-benzothiazol-3-one
CID 16749998
morpholin-4-yl(phenazin-1-yl)methanone
CID 3743226
2-[4-[4-(2-hydroxybenzoyl)piperazin-1-yl]-4-oxobutyl]benzo[de]isoquinoline-1,3-dione
CID 55646044

Frequently Asked Questions

What is the IUPAC name of 2-[2-(morpholine-4-carbonyl)phenyl]benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-[2-(morpholine-4-carbonyl)phenyl]benzo[de]isoquinoline-1,3-dione (CID 1099760) is 2-[2-(morpholine-4-carbonyl)phenyl]benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-[2-(morpholine-4-carbonyl)phenyl]benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-[2-(morpholine-4-carbonyl)phenyl]benzo[de]isoquinoline-1,3-dione is O=C(c1ccccc1N1C(=O)c2cccc3cccc(c23)C1=O)N1CCOCC1.
What is the InChIKey of 2-[2-(morpholine-4-carbonyl)phenyl]benzo[de]isoquinoline-1,3-dione?
The InChIKey is HHNYNRHMLCZPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c26-21(24-11-13-29-14-12-24)16-7-1-2-10-19(16)25-22(27)17-8-3-5-15-6-4-9-18(20(15)17)23(25)28/h1-10H,11-14H2.
What are the key properties of 2-[2-(morpholine-4-carbonyl)phenyl]benzo[de]isoquinoline-1,3-dione?
2-[2-(morpholine-4-carbonyl)phenyl]benzo[de]isoquinoline-1,3-dione has a molecular weight of 386.41 g/mol, XLogP of 3.11, 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]benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 1099760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).