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

C22H20N4O3S — CID 122690729

IUPAC8-(3-ethoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
SMILESCCOc1cccc(-c2cc(Nc3cnccc3S(C)(=O)=O)cc3nccnc23)c1
InChIInChI=1S/C22H20N4O3S/c1-3-29-17-6-4-5-15(11-17)18-12-16(13-19-22(18)25-10-9-24-19)26-20-14-23-8-7-21(20)30(2,27)28/h4-14,26H,3H2,1-2H3
InChIKeyGROUWSUANYTVMF-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.24
Rot. Bonds6

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

8-(3-ethoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine (PubChem CID 122690729) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 8-(3-ethoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine.

Molecular Properties

Compound Name8-(3-ethoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
PubChem CID122690729
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name8-(3-ethoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
SMILESCCOc1cccc(-c2cc(Nc3cnccc3S(C)(=O)=O)cc3nccnc23)c1
InChIInChI=1S/C22H20N4O3S/c1-3-29-17-6-4-5-15(11-17)18-12-16(13-19-22(18)25-10-9-24-19)26-20-14-23-8-7-21(20)30(2,27)28/h4-14,26H,3H2,1-2H3
InChIKeyGROUWSUANYTVMF-UHFFFAOYSA-N
XLogP4.24
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(3-ethoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine?
The IUPAC name of 8-(3-ethoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine (CID 122690729) is 8-(3-ethoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine.
What is the SMILES notation for 8-(3-ethoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine?
The canonical SMILES for 8-(3-ethoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine is CCOc1cccc(-c2cc(Nc3cnccc3S(C)(=O)=O)cc3nccnc23)c1.
What is the InChIKey of 8-(3-ethoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine?
The InChIKey is GROUWSUANYTVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-3-29-17-6-4-5-15(11-17)18-12-16(13-19-22(18)25-10-9-24-19)26-20-14-23-8-7-21(20)30(2,27)28/h4-14,26H,3H2,1-2H3.
What are the key properties of 8-(3-ethoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine?
8-(3-ethoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine has a molecular weight of 420.49 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-ethoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine is sourced from PubChem (CID 122690729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).