8-(3-ethylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine

C22H20N4O2S — CID 122690803

IUPAC8-(3-ethylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
SMILESCCc1cccc(-c2cc(Nc3cnccc3S(C)(=O)=O)cc3nccnc23)c1
InChIInChI=1S/C22H20N4O2S/c1-3-15-5-4-6-16(11-15)18-12-17(13-19-22(18)25-10-9-24-19)26-20-14-23-8-7-21(20)29(2,27)28/h4-14,26H,3H2,1-2H3
InChIKeyJYNYCXZVDRZWIX-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.40
Rot. Bonds5

About 8-(3-ethylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine

8-(3-ethylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine (PubChem CID 122690803) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 8-(3-ethylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine.

Molecular Properties

Compound Name8-(3-ethylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
PubChem CID122690803
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name8-(3-ethylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
SMILESCCc1cccc(-c2cc(Nc3cnccc3S(C)(=O)=O)cc3nccnc23)c1
InChIInChI=1S/C22H20N4O2S/c1-3-15-5-4-6-16(11-15)18-12-17(13-19-22(18)25-10-9-24-19)26-20-14-23-8-7-21(20)29(2,27)28/h4-14,26H,3H2,1-2H3
InChIKeyJYNYCXZVDRZWIX-UHFFFAOYSA-N
XLogP4.40
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(3-ethylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine 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 8-(3-ethylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine?
The IUPAC name of 8-(3-ethylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine (CID 122690803) is 8-(3-ethylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine.
What is the SMILES notation for 8-(3-ethylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine?
The canonical SMILES for 8-(3-ethylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine is CCc1cccc(-c2cc(Nc3cnccc3S(C)(=O)=O)cc3nccnc23)c1.
What is the InChIKey of 8-(3-ethylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine?
The InChIKey is JYNYCXZVDRZWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-3-15-5-4-6-16(11-15)18-12-17(13-19-22(18)25-10-9-24-19)26-20-14-23-8-7-21(20)29(2,27)28/h4-14,26H,3H2,1-2H3.
What are the key properties of 8-(3-ethylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine?
8-(3-ethylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine has a molecular weight of 404.50 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-ethylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine is sourced from PubChem (CID 122690803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).