2,3-diphenyl-N-prop-2-enylquinoxaline-6-carboxamide

C24H19N3O — CID 5261757

IUPAC2,3-diphenyl-N-prop-2-enylquinoxaline-6-carboxamide
SMILESC=CCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C24H19N3O/c1-2-15-25-24(28)19-13-14-20-21(16-19)27-23(18-11-7-4-8-12-18)22(26-20)17-9-5-3-6-10-17/h2-14,16H,1,15H2,(H,25,28)
InChIKeyFFMKFIRZHWVPPY-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.88
Rot. Bonds5

About 2,3-diphenyl-N-prop-2-enylquinoxaline-6-carboxamide

2,3-diphenyl-N-prop-2-enylquinoxaline-6-carboxamide (PubChem CID 5261757) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is 2,3-diphenyl-N-prop-2-enylquinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-diphenyl-N-prop-2-enylquinoxaline-6-carboxamide
PubChem CID5261757
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC Name2,3-diphenyl-N-prop-2-enylquinoxaline-6-carboxamide
SMILESC=CCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C24H19N3O/c1-2-15-25-24(28)19-13-14-20-21(16-19)27-23(18-11-7-4-8-12-18)22(26-20)17-9-5-3-6-10-17/h2-14,16H,1,15H2,(H,25,28)
InChIKeyFFMKFIRZHWVPPY-UHFFFAOYSA-N
XLogP4.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-N-prop-2-enylquinoxaline-6-carboxamide?
The IUPAC name of 2,3-diphenyl-N-prop-2-enylquinoxaline-6-carboxamide (CID 5261757) is 2,3-diphenyl-N-prop-2-enylquinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-diphenyl-N-prop-2-enylquinoxaline-6-carboxamide?
The canonical SMILES for 2,3-diphenyl-N-prop-2-enylquinoxaline-6-carboxamide is C=CCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1.
What is the InChIKey of 2,3-diphenyl-N-prop-2-enylquinoxaline-6-carboxamide?
The InChIKey is FFMKFIRZHWVPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O/c1-2-15-25-24(28)19-13-14-20-21(16-19)27-23(18-11-7-4-8-12-18)22(26-20)17-9-5-3-6-10-17/h2-14,16H,1,15H2,(H,25,28).
What are the key properties of 2,3-diphenyl-N-prop-2-enylquinoxaline-6-carboxamide?
2,3-diphenyl-N-prop-2-enylquinoxaline-6-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-N-prop-2-enylquinoxaline-6-carboxamide is sourced from PubChem (CID 5261757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).