8-(2-methoxy-5-methylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine

C22H20N4O3S — CID 122690716

IUPAC8-(2-methoxy-5-methylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
SMILESCOc1ccc(C)cc1-c1cc(Nc2cnccc2S(C)(=O)=O)cc2nccnc12
InChIInChI=1S/C22H20N4O3S/c1-14-4-5-20(29-2)16(10-14)17-11-15(12-18-22(17)25-9-8-24-18)26-19-13-23-7-6-21(19)30(3,27)28/h4-13,26H,1-3H3
InChIKeyGFIVJSHACJPYEI-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.16
Rot. Bonds5

About 8-(2-methoxy-5-methylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine

8-(2-methoxy-5-methylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine (PubChem CID 122690716) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 8-(2-methoxy-5-methylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine.

Molecular Properties

Compound Name8-(2-methoxy-5-methylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
PubChem CID122690716
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name8-(2-methoxy-5-methylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
SMILESCOc1ccc(C)cc1-c1cc(Nc2cnccc2S(C)(=O)=O)cc2nccnc12
InChIInChI=1S/C22H20N4O3S/c1-14-4-5-20(29-2)16(10-14)17-11-15(12-18-22(17)25-9-8-24-18)26-19-13-23-7-6-21(19)30(3,27)28/h4-13,26H,1-3H3
InChIKeyGFIVJSHACJPYEI-UHFFFAOYSA-N
XLogP4.16
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(4-methylsulfonylphenyl)-N-[2-(4-propan-2-yloxyphenyl)-4-pyridinyl]quinolin-4-amine
CID 164620647
8-(3-methyl-1-benzofuran-5-yl)-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine
CID 122690650
3-N-[5,7-difluoro-3-methyl-2-(2-methylsulfonylphenyl)quinolin-4-yl]-5-N-ethyl-2-(6-methoxy-3-pyridinyl)-5-N-methylpyridine-3,5-diamine
CID 90893609
N-(4-methylsulfonylpyridin-3-yl)-8-[3-(trifluoromethoxy)phenyl]quinoxalin-6-amine
CID 122690854
3-(2-Methoxyphenyl)sulfonyl-8-piperazin-1-ylquinoline
CID 10287286
2-methoxy-N-(3-methylsulfanylquinolin-8-yl)quinolin-8-amine
CID 20827871
2-(3,4-Dimethoxyphenyl)-8-(4-methylsulfonylphenyl)quinoxaline
CID 59392692
N-(5-methoxy-2,4-dimethylphenyl)-6-methylsulfonylquinolin-4-amine
CID 67465372
N-(4-methylsulfonyl-3-pyridinyl)-8-(3-propan-2-yloxyphenyl)quinoxalin-6-amine
CID 122690580
8-(4-methoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
CID 122690701
8-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
CID 122690725
8-(3-ethoxyphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine
CID 122690729

Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxy-5-methylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine?
The IUPAC name of 8-(2-methoxy-5-methylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine (CID 122690716) is 8-(2-methoxy-5-methylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine.
What is the SMILES notation for 8-(2-methoxy-5-methylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine?
The canonical SMILES for 8-(2-methoxy-5-methylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine is COc1ccc(C)cc1-c1cc(Nc2cnccc2S(C)(=O)=O)cc2nccnc12.
What is the InChIKey of 8-(2-methoxy-5-methylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine?
The InChIKey is GFIVJSHACJPYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-14-4-5-20(29-2)16(10-14)17-11-15(12-18-22(17)25-9-8-24-18)26-19-13-23-7-6-21(19)30(3,27)28/h4-13,26H,1-3H3.
What are the key properties of 8-(2-methoxy-5-methylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine?
8-(2-methoxy-5-methylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine has a molecular weight of 420.49 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxy-5-methylphenyl)-N-(4-methylsulfonyl-3-pyridinyl)quinoxalin-6-amine is sourced from PubChem (CID 122690716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).