2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenyl)sulfonylquinoxaline

C24H21N3O2S — CID 70693866

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenyl)sulfonylquinoxaline
SMILESCc1ccc(S(=O)(=O)c2nc3ccccc3nc2N2CCc3ccccc3C2)cc1
InChIInChI=1S/C24H21N3O2S/c1-17-10-12-20(13-11-17)30(28,29)24-23(25-21-8-4-5-9-22(21)26-24)27-15-14-18-6-2-3-7-19(18)16-27/h2-13H,14-16H2,1H3
InChIKeyYZJQYVXTYSXEPV-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.33
Rot. Bonds3

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenyl)sulfonylquinoxaline

2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenyl)sulfonylquinoxaline (PubChem CID 70693866) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenyl)sulfonylquinoxaline.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenyl)sulfonylquinoxaline
PubChem CID70693866
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenyl)sulfonylquinoxaline
SMILESCc1ccc(S(=O)(=O)c2nc3ccccc3nc2N2CCc3ccccc3C2)cc1
InChIInChI=1S/C24H21N3O2S/c1-17-10-12-20(13-11-17)30(28,29)24-23(25-21-8-4-5-9-22(21)26-24)27-15-14-18-6-2-3-7-19(18)16-27/h2-13H,14-16H2,1H3
InChIKeyYZJQYVXTYSXEPV-UHFFFAOYSA-N
XLogP4.33
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenyl)sulfonylquinoxaline 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 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenyl)sulfonylquinoxaline?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenyl)sulfonylquinoxaline (CID 70693866) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenyl)sulfonylquinoxaline.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenyl)sulfonylquinoxaline?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenyl)sulfonylquinoxaline is Cc1ccc(S(=O)(=O)c2nc3ccccc3nc2N2CCc3ccccc3C2)cc1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenyl)sulfonylquinoxaline?
The InChIKey is YZJQYVXTYSXEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-17-10-12-20(13-11-17)30(28,29)24-23(25-21-8-4-5-9-22(21)26-24)27-15-14-18-6-2-3-7-19(18)16-27/h2-13H,14-16H2,1H3.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenyl)sulfonylquinoxaline?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenyl)sulfonylquinoxaline has a molecular weight of 415.52 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenyl)sulfonylquinoxaline is sourced from PubChem (CID 70693866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).