1-ethoxy-4-phenylmethoxyquinoxaline-2,3-dione

C17H16N2O4 — CID 876960

IUPAC1-ethoxy-4-phenylmethoxyquinoxaline-2,3-dione
SMILESCCOn1c(=O)c(=O)n(OCc2ccccc2)c2ccccc21
InChIInChI=1S/C17H16N2O4/c1-2-22-18-14-10-6-7-11-15(14)19(17(21)16(18)20)23-12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyQRYNWYNTSUWUDO-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.24
Rot. Bonds5

About 1-ethoxy-4-phenylmethoxyquinoxaline-2,3-dione

1-ethoxy-4-phenylmethoxyquinoxaline-2,3-dione (PubChem CID 876960) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 1-ethoxy-4-phenylmethoxyquinoxaline-2,3-dione.

Molecular Properties

Compound Name1-ethoxy-4-phenylmethoxyquinoxaline-2,3-dione
PubChem CID876960
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name1-ethoxy-4-phenylmethoxyquinoxaline-2,3-dione
SMILESCCOn1c(=O)c(=O)n(OCc2ccccc2)c2ccccc21
InChIInChI=1S/C17H16N2O4/c1-2-22-18-14-10-6-7-11-15(14)19(17(21)16(18)20)23-12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyQRYNWYNTSUWUDO-UHFFFAOYSA-N
XLogP1.24
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.24
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-ethoxy-4-phenylmethoxyquinoxaline-2,3-dione?
The IUPAC name of 1-ethoxy-4-phenylmethoxyquinoxaline-2,3-dione (CID 876960) is 1-ethoxy-4-phenylmethoxyquinoxaline-2,3-dione.
What is the SMILES notation for 1-ethoxy-4-phenylmethoxyquinoxaline-2,3-dione?
The canonical SMILES for 1-ethoxy-4-phenylmethoxyquinoxaline-2,3-dione is CCOn1c(=O)c(=O)n(OCc2ccccc2)c2ccccc21.
What is the InChIKey of 1-ethoxy-4-phenylmethoxyquinoxaline-2,3-dione?
The InChIKey is QRYNWYNTSUWUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-2-22-18-14-10-6-7-11-15(14)19(17(21)16(18)20)23-12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3.
What are the key properties of 1-ethoxy-4-phenylmethoxyquinoxaline-2,3-dione?
1-ethoxy-4-phenylmethoxyquinoxaline-2,3-dione has a molecular weight of 312.33 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-phenylmethoxyquinoxaline-2,3-dione is sourced from PubChem (CID 876960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).