5-phenyl-4-(3-phenylquinoxalin-2-yl)furan-2,3-dione

C24H14N2O3 — CID 629442

IUPAC5-phenyl-4-(3-phenylquinoxalin-2-yl)furan-2,3-dione
SMILESO=C1OC(c2ccccc2)=C(c2nc3ccccc3nc2-c2ccccc2)C1=O
InChIInChI=1S/C24H14N2O3/c27-22-19(23(29-24(22)28)16-11-5-2-6-12-16)21-20(15-9-3-1-4-10-15)25-17-13-7-8-14-18(17)26-21/h1-14H
InChIKeyRPUUHJNMJWXIBO-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.29
Rot. Bonds3

About 5-phenyl-4-(3-phenylquinoxalin-2-yl)furan-2,3-dione

5-phenyl-4-(3-phenylquinoxalin-2-yl)furan-2,3-dione (PubChem CID 629442) has the molecular formula C24H14N2O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is 5-phenyl-4-(3-phenylquinoxalin-2-yl)furan-2,3-dione.

Molecular Properties

Compound Name5-phenyl-4-(3-phenylquinoxalin-2-yl)furan-2,3-dione
PubChem CID629442
Molecular FormulaC24H14N2O3
Molecular Weight378.39 g/mol
Exact Mass378.10
IUPAC Name5-phenyl-4-(3-phenylquinoxalin-2-yl)furan-2,3-dione
SMILESO=C1OC(c2ccccc2)=C(c2nc3ccccc3nc2-c2ccccc2)C1=O
InChIInChI=1S/C24H14N2O3/c27-22-19(23(29-24(22)28)16-11-5-2-6-12-16)21-20(15-9-3-1-4-10-15)25-17-13-7-8-14-18(17)26-21/h1-14H
InChIKeyRPUUHJNMJWXIBO-UHFFFAOYSA-N
XLogP4.29
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2,3-dimethylquinoxaline-6-carboxylate
CID 2826621
Propan-2-yl phenazine-2-carboxylate
CID 3767092
2,3-Diphenylquinoxaline-6-carboxylic acid
CID 629852
Ethyl 6,11-dioxo-6,11-dihydro-5,12-diazatetracene-2-carboxylate
CID 4372959
Methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 2826629
10,10-Dimethyl-9-oxa-15,22-diazatetracyclo[12.8.0.02,7.016,21]docosa-1(22),2,4,6,14,16,18,20-octaene-8,13-dione
CID 11336931
Methyl 2,3-bis(4-fluorophenyl)quinoxaline-6-carboxylate
CID 5055731
Methyl 2,3-diphenylquinoxaline-6-carboxylate
CID 4572650
(7,7-Dimethyl-7,8-dihydrobenzo[3,4]oxonino[6,7-b]quinoxaline-5,9-dione)
CID 42632427
Methyl 7-acetylphenazine-1-carboxylate
CID 76307885
Methyl 6-(2-acetyloxyacetyl)phenazine-1-carboxylate
CID 76311470
Methyl 7-(3-phenylpropanoyl)phenazine-1-carboxylate
CID 76318703

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-(3-phenylquinoxalin-2-yl)furan-2,3-dione?
The IUPAC name of 5-phenyl-4-(3-phenylquinoxalin-2-yl)furan-2,3-dione (CID 629442) is 5-phenyl-4-(3-phenylquinoxalin-2-yl)furan-2,3-dione.
What is the SMILES notation for 5-phenyl-4-(3-phenylquinoxalin-2-yl)furan-2,3-dione?
The canonical SMILES for 5-phenyl-4-(3-phenylquinoxalin-2-yl)furan-2,3-dione is O=C1OC(c2ccccc2)=C(c2nc3ccccc3nc2-c2ccccc2)C1=O.
What is the InChIKey of 5-phenyl-4-(3-phenylquinoxalin-2-yl)furan-2,3-dione?
The InChIKey is RPUUHJNMJWXIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N2O3/c27-22-19(23(29-24(22)28)16-11-5-2-6-12-16)21-20(15-9-3-1-4-10-15)25-17-13-7-8-14-18(17)26-21/h1-14H.
What are the key properties of 5-phenyl-4-(3-phenylquinoxalin-2-yl)furan-2,3-dione?
5-phenyl-4-(3-phenylquinoxalin-2-yl)furan-2,3-dione has a molecular weight of 378.39 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-(3-phenylquinoxalin-2-yl)furan-2,3-dione is sourced from PubChem (CID 629442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).