2-[[3-(indol-1-ylmethyl)quinoxalin-2-yl]methyl]isoindole-1,3-dione

C26H18N4O2 — CID 139959370

IUPAC2-[[3-(indol-1-ylmethyl)quinoxalin-2-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1nc2ccccc2nc1Cn1ccc2ccccc21
InChIInChI=1S/C26H18N4O2/c31-25-18-8-2-3-9-19(18)26(32)30(25)16-23-22(27-20-10-4-5-11-21(20)28-23)15-29-14-13-17-7-1-6-12-24(17)29/h1-14H,15-16H2
InChIKeyFTBIVUROPDWDBP-UHFFFAOYSA-N
MW418.46 g/mol
LogP4.43
Rot. Bonds4

About 2-[[3-(indol-1-ylmethyl)quinoxalin-2-yl]methyl]isoindole-1,3-dione

2-[[3-(indol-1-ylmethyl)quinoxalin-2-yl]methyl]isoindole-1,3-dione (PubChem CID 139959370) has the molecular formula C26H18N4O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 2-[[3-(indol-1-ylmethyl)quinoxalin-2-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[3-(indol-1-ylmethyl)quinoxalin-2-yl]methyl]isoindole-1,3-dione
PubChem CID139959370
Molecular FormulaC26H18N4O2
Molecular Weight418.46 g/mol
Exact Mass418.14
IUPAC Name2-[[3-(indol-1-ylmethyl)quinoxalin-2-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1nc2ccccc2nc1Cn1ccc2ccccc21
InChIInChI=1S/C26H18N4O2/c31-25-18-8-2-3-9-19(18)26(32)30(25)16-23-22(27-20-10-4-5-11-21(20)28-23)15-29-14-13-17-7-1-6-12-24(17)29/h1-14H,15-16H2
InChIKeyFTBIVUROPDWDBP-UHFFFAOYSA-N
XLogP4.43
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(indol-1-ylmethyl)quinoxalin-2-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[3-(indol-1-ylmethyl)quinoxalin-2-yl]methyl]isoindole-1,3-dione (CID 139959370) is 2-[[3-(indol-1-ylmethyl)quinoxalin-2-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[3-(indol-1-ylmethyl)quinoxalin-2-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[3-(indol-1-ylmethyl)quinoxalin-2-yl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2nc1Cn1ccc2ccccc21.
What is the InChIKey of 2-[[3-(indol-1-ylmethyl)quinoxalin-2-yl]methyl]isoindole-1,3-dione?
The InChIKey is FTBIVUROPDWDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O2/c31-25-18-8-2-3-9-19(18)26(32)30(25)16-23-22(27-20-10-4-5-11-21(20)28-23)15-29-14-13-17-7-1-6-12-24(17)29/h1-14H,15-16H2.
What are the key properties of 2-[[3-(indol-1-ylmethyl)quinoxalin-2-yl]methyl]isoindole-1,3-dione?
2-[[3-(indol-1-ylmethyl)quinoxalin-2-yl]methyl]isoindole-1,3-dione has a molecular weight of 418.46 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(indol-1-ylmethyl)quinoxalin-2-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 139959370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).