(4-quinoxalin-2-ylphenyl) furan-2-carboxylate

C19H12N2O3 — CID 683777

IUPAC(4-quinoxalin-2-ylphenyl) furan-2-carboxylate
SMILESO=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccco1
InChIInChI=1S/C19H12N2O3/c22-19(18-6-3-11-23-18)24-14-9-7-13(8-10-14)17-12-20-15-4-1-2-5-16(15)21-17/h1-12H
InChIKeyPEIFECWXZPNDFG-UHFFFAOYSA-N
MW316.32 g/mol
LogP4.11
Rot. Bonds3

About (4-quinoxalin-2-ylphenyl) furan-2-carboxylate

(4-quinoxalin-2-ylphenyl) furan-2-carboxylate (PubChem CID 683777) has the molecular formula C19H12N2O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is (4-quinoxalin-2-ylphenyl) furan-2-carboxylate.

Molecular Properties

Compound Name(4-quinoxalin-2-ylphenyl) furan-2-carboxylate
PubChem CID683777
Molecular FormulaC19H12N2O3
Molecular Weight316.32 g/mol
Exact Mass316.08
IUPAC Name(4-quinoxalin-2-ylphenyl) furan-2-carboxylate
SMILESO=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccco1
InChIInChI=1S/C19H12N2O3/c22-19(18-6-3-11-23-18)24-14-9-7-13(8-10-14)17-12-20-15-4-1-2-5-16(15)21-17/h1-12H
InChIKeyPEIFECWXZPNDFG-UHFFFAOYSA-N
XLogP4.11
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 54.11
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) furan-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) furan-2-carboxylate?
The IUPAC name of (4-quinoxalin-2-ylphenyl) furan-2-carboxylate (CID 683777) is (4-quinoxalin-2-ylphenyl) furan-2-carboxylate.
What is the SMILES notation for (4-quinoxalin-2-ylphenyl) furan-2-carboxylate?
The canonical SMILES for (4-quinoxalin-2-ylphenyl) furan-2-carboxylate is O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccco1.
What is the InChIKey of (4-quinoxalin-2-ylphenyl) furan-2-carboxylate?
The InChIKey is PEIFECWXZPNDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O3/c22-19(18-6-3-11-23-18)24-14-9-7-13(8-10-14)17-12-20-15-4-1-2-5-16(15)21-17/h1-12H.
What are the key properties of (4-quinoxalin-2-ylphenyl) furan-2-carboxylate?
(4-quinoxalin-2-ylphenyl) furan-2-carboxylate has a molecular weight of 316.32 g/mol, XLogP of 4.11, 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) furan-2-carboxylate is sourced from PubChem (CID 683777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).