1-phenylmethoxy-4-prop-2-enoxyquinoxaline-2,3-dione

C18H16N2O4 — CID 667272

IUPAC1-phenylmethoxy-4-prop-2-enoxyquinoxaline-2,3-dione
SMILESC=CCOn1c(=O)c(=O)n(OCc2ccccc2)c2ccccc21
InChIInChI=1S/C18H16N2O4/c1-2-12-23-19-15-10-6-7-11-16(15)20(18(22)17(19)21)24-13-14-8-4-3-5-9-14/h2-11H,1,12-13H2
InChIKeyXGHLVBQDIWWVSQ-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.41
Rot. Bonds6

About 1-phenylmethoxy-4-prop-2-enoxyquinoxaline-2,3-dione

1-phenylmethoxy-4-prop-2-enoxyquinoxaline-2,3-dione (PubChem CID 667272) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-phenylmethoxy-4-prop-2-enoxyquinoxaline-2,3-dione.

Molecular Properties

Compound Name1-phenylmethoxy-4-prop-2-enoxyquinoxaline-2,3-dione
PubChem CID667272
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name1-phenylmethoxy-4-prop-2-enoxyquinoxaline-2,3-dione
SMILESC=CCOn1c(=O)c(=O)n(OCc2ccccc2)c2ccccc21
InChIInChI=1S/C18H16N2O4/c1-2-12-23-19-15-10-6-7-11-16(15)20(18(22)17(19)21)24-13-14-8-4-3-5-9-14/h2-11H,1,12-13H2
InChIKeyXGHLVBQDIWWVSQ-UHFFFAOYSA-N
XLogP1.41
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-phenylmethoxy-4-prop-2-enoxyquinoxaline-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-4-prop-2-enoxyquinoxaline-2,3-dione?
The IUPAC name of 1-phenylmethoxy-4-prop-2-enoxyquinoxaline-2,3-dione (CID 667272) is 1-phenylmethoxy-4-prop-2-enoxyquinoxaline-2,3-dione.
What is the SMILES notation for 1-phenylmethoxy-4-prop-2-enoxyquinoxaline-2,3-dione?
The canonical SMILES for 1-phenylmethoxy-4-prop-2-enoxyquinoxaline-2,3-dione is C=CCOn1c(=O)c(=O)n(OCc2ccccc2)c2ccccc21.
What is the InChIKey of 1-phenylmethoxy-4-prop-2-enoxyquinoxaline-2,3-dione?
The InChIKey is XGHLVBQDIWWVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-2-12-23-19-15-10-6-7-11-16(15)20(18(22)17(19)21)24-13-14-8-4-3-5-9-14/h2-11H,1,12-13H2.
What are the key properties of 1-phenylmethoxy-4-prop-2-enoxyquinoxaline-2,3-dione?
1-phenylmethoxy-4-prop-2-enoxyquinoxaline-2,3-dione has a molecular weight of 324.34 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-4-prop-2-enoxyquinoxaline-2,3-dione is sourced from PubChem (CID 667272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).