2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzo[de]isoquinoline-1,3-dione

C23H18N2O3 — CID 113202446

IUPAC2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1CCC(=O)N1CCc2ccccc21
InChIInChI=1S/C23H18N2O3/c26-20(24-13-11-15-5-1-2-10-19(15)24)12-14-25-22(27)17-8-3-6-16-7-4-9-18(21(16)17)23(25)28/h1-10H,11-14H2
InChIKeyAWWOZFGBUCDYSI-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.42
Rot. Bonds3

About 2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzo[de]isoquinoline-1,3-dione

2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzo[de]isoquinoline-1,3-dione (PubChem CID 113202446) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzo[de]isoquinoline-1,3-dione
PubChem CID113202446
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1CCC(=O)N1CCc2ccccc21
InChIInChI=1S/C23H18N2O3/c26-20(24-13-11-15-5-1-2-10-19(15)24)12-14-25-22(27)17-8-3-6-16-7-4-9-18(21(16)17)23(25)28/h1-10H,11-14H2
InChIKeyAWWOZFGBUCDYSI-UHFFFAOYSA-N
XLogP3.42
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzo[de]isoquinoline-1,3-dione with MolForge

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Related Compounds

2-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]benzo[de]isoquinoline-1,3-dione
CID 2906615
5-bromo-2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 30429389
2-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzo[de]isoquinoline-1,3-dione
CID 2877226
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
(3aR,7aS)-2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7768541
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 46789772
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
2-[3-(6-nitro-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 110287366
4-amino-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 2437704
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-2,3-dione
CID 2207715
3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665042

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzo[de]isoquinoline-1,3-dione (CID 113202446) is 2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzo[de]isoquinoline-1,3-dione is O=C1c2cccc3cccc(c23)C(=O)N1CCC(=O)N1CCc2ccccc21.
What is the InChIKey of 2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzo[de]isoquinoline-1,3-dione?
The InChIKey is AWWOZFGBUCDYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c26-20(24-13-11-15-5-1-2-10-19(15)24)12-14-25-22(27)17-8-3-6-16-7-4-9-18(21(16)17)23(25)28/h1-10H,11-14H2.
What are the key properties of 2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzo[de]isoquinoline-1,3-dione?
2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzo[de]isoquinoline-1,3-dione has a molecular weight of 370.41 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 113202446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).