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

C21H18N4O3S — CID 122690701

IUPAC8-(4-methoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
SMILESCOc1ccc(-c2cc(Nc3cnccc3S(C)(=O)=O)cc3nccnc23)cc1
InChIInChI=1S/C21H18N4O3S/c1-28-16-5-3-14(4-6-16)17-11-15(12-18-21(17)24-10-9-23-18)25-19-13-22-8-7-20(19)29(2,26)27/h3-13,25H,1-2H3
InChIKeyPRAZZAMRMHIYEF-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.85
Rot. Bonds5

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

8-(4-methoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine (PubChem CID 122690701) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
PubChem CID122690701
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC Name8-(4-methoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
SMILESCOc1ccc(-c2cc(Nc3cnccc3S(C)(=O)=O)cc3nccnc23)cc1
InChIInChI=1S/C21H18N4O3S/c1-28-16-5-3-14(4-6-16)17-11-15(12-18-21(17)24-10-9-23-18)25-19-13-22-8-7-20(19)29(2,26)27/h3-13,25H,1-2H3
InChIKeyPRAZZAMRMHIYEF-UHFFFAOYSA-N
XLogP3.85
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine?
The IUPAC name of 8-(4-methoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine (CID 122690701) is 8-(4-methoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine.
What is the SMILES notation for 8-(4-methoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine?
The canonical SMILES for 8-(4-methoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine is COc1ccc(-c2cc(Nc3cnccc3S(C)(=O)=O)cc3nccnc23)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine?
The InChIKey is PRAZZAMRMHIYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-28-16-5-3-14(4-6-16)17-11-15(12-18-21(17)24-10-9-23-18)25-19-13-22-8-7-20(19)29(2,26)27/h3-13,25H,1-2H3.
What are the key properties of 8-(4-methoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine?
8-(4-methoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine has a molecular weight of 406.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine is sourced from PubChem (CID 122690701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).