1-[2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)ethyl]indole-2,3-dione

C25H18N4O3 — CID 4902806

IUPAC1-[2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)ethyl]indole-2,3-dione
SMILESCOc1ccc2c(c1)c1nc3ccccc3nc1n2CCN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C25H18N4O3/c1-32-15-10-11-21-17(14-15)22-24(27-19-8-4-3-7-18(19)26-22)28(21)12-13-29-20-9-5-2-6-16(20)23(30)25(29)31/h2-11,14H,12-13H2,1H3
InChIKeyNQUWUIKXTSLNBH-UHFFFAOYSA-N
MW422.44 g/mol
LogP3.98
Rot. Bonds4

About 1-[2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)ethyl]indole-2,3-dione

1-[2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)ethyl]indole-2,3-dione (PubChem CID 4902806) has the molecular formula C25H18N4O3 and a molecular weight of 422.44 g/mol. Its IUPAC name is 1-[2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)ethyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)ethyl]indole-2,3-dione
PubChem CID4902806
Molecular FormulaC25H18N4O3
Molecular Weight422.44 g/mol
Exact Mass422.14
IUPAC Name1-[2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)ethyl]indole-2,3-dione
SMILESCOc1ccc2c(c1)c1nc3ccccc3nc1n2CCN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C25H18N4O3/c1-32-15-10-11-21-17(14-15)22-24(27-19-8-4-3-7-18(19)26-22)28(21)12-13-29-20-9-5-2-6-16(20)23(30)25(29)31/h2-11,14H,12-13H2,1H3
InChIKeyNQUWUIKXTSLNBH-UHFFFAOYSA-N
XLogP3.98
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)ethyl]indole-2,3-dione?
The IUPAC name of 1-[2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)ethyl]indole-2,3-dione (CID 4902806) is 1-[2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)ethyl]indole-2,3-dione.
What is the SMILES notation for 1-[2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)ethyl]indole-2,3-dione?
The canonical SMILES for 1-[2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)ethyl]indole-2,3-dione is COc1ccc2c(c1)c1nc3ccccc3nc1n2CCN1C(=O)C(=O)c2ccccc21.
What is the InChIKey of 1-[2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)ethyl]indole-2,3-dione?
The InChIKey is NQUWUIKXTSLNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O3/c1-32-15-10-11-21-17(14-15)22-24(27-19-8-4-3-7-18(19)26-22)28(21)12-13-29-20-9-5-2-6-16(20)23(30)25(29)31/h2-11,14H,12-13H2,1H3.
What are the key properties of 1-[2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)ethyl]indole-2,3-dione?
1-[2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)ethyl]indole-2,3-dione has a molecular weight of 422.44 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)ethyl]indole-2,3-dione is sourced from PubChem (CID 4902806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).