(4-quinoxalin-2-ylphenyl) 5-bromofuran-2-carboxylate

C19H11BrN2O3 — CID 1280563

IUPAC(4-quinoxalin-2-ylphenyl) 5-bromofuran-2-carboxylate
SMILESO=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Br)o1
InChIInChI=1S/C19H11BrN2O3/c20-18-10-9-17(25-18)19(23)24-13-7-5-12(6-8-13)16-11-21-14-3-1-2-4-15(14)22-16/h1-11H
InChIKeyKCMZXFSMDWJEGA-UHFFFAOYSA-N
MW395.21 g/mol
LogP4.87
Rot. Bonds3

About (4-quinoxalin-2-ylphenyl) 5-bromofuran-2-carboxylate

(4-quinoxalin-2-ylphenyl) 5-bromofuran-2-carboxylate (PubChem CID 1280563) has the molecular formula C19H11BrN2O3 and a molecular weight of 395.21 g/mol. Its IUPAC name is (4-quinoxalin-2-ylphenyl) 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Name(4-quinoxalin-2-ylphenyl) 5-bromofuran-2-carboxylate
PubChem CID1280563
Molecular FormulaC19H11BrN2O3
Molecular Weight395.21 g/mol
Exact Mass394.00
IUPAC Name(4-quinoxalin-2-ylphenyl) 5-bromofuran-2-carboxylate
SMILESO=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Br)o1
InChIInChI=1S/C19H11BrN2O3/c20-18-10-9-17(25-18)19(23)24-13-7-5-12(6-8-13)16-11-21-14-3-1-2-4-15(14)22-16/h1-11H
InChIKeyKCMZXFSMDWJEGA-UHFFFAOYSA-N
XLogP4.87
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.21
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-quinoxalin-2-ylphenyl) 5-bromofuran-2-carboxylate 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 (4-quinoxalin-2-ylphenyl) 5-bromofuran-2-carboxylate?
The IUPAC name of (4-quinoxalin-2-ylphenyl) 5-bromofuran-2-carboxylate (CID 1280563) is (4-quinoxalin-2-ylphenyl) 5-bromofuran-2-carboxylate.
What is the SMILES notation for (4-quinoxalin-2-ylphenyl) 5-bromofuran-2-carboxylate?
The canonical SMILES for (4-quinoxalin-2-ylphenyl) 5-bromofuran-2-carboxylate is O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Br)o1.
What is the InChIKey of (4-quinoxalin-2-ylphenyl) 5-bromofuran-2-carboxylate?
The InChIKey is KCMZXFSMDWJEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrN2O3/c20-18-10-9-17(25-18)19(23)24-13-7-5-12(6-8-13)16-11-21-14-3-1-2-4-15(14)22-16/h1-11H.
What are the key properties of (4-quinoxalin-2-ylphenyl) 5-bromofuran-2-carboxylate?
(4-quinoxalin-2-ylphenyl) 5-bromofuran-2-carboxylate has a molecular weight of 395.21 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-quinoxalin-2-ylphenyl) 5-bromofuran-2-carboxylate is sourced from PubChem (CID 1280563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).