5,8-bis[(4-methoxyphenyl)sulfanyl]-N-methylquinoxalin-2-amine

C23H21N3O2S2 — CID 71186469

IUPAC5,8-bis[(4-methoxyphenyl)sulfanyl]-N-methylquinoxalin-2-amine
SMILESCNc1cnc2c(Sc3ccc(OC)cc3)ccc(Sc3ccc(OC)cc3)c2n1
InChIInChI=1S/C23H21N3O2S2/c1-24-21-14-25-22-19(29-17-8-4-15(27-2)5-9-17)12-13-20(23(22)26-21)30-18-10-6-16(28-3)7-11-18/h4-14H,1-3H3,(H,24,26)
InChIKeyMTEVYLYIDXJKFA-UHFFFAOYSA-N
MW435.57 g/mol
LogP5.99
Rot. Bonds7

About 5,8-bis[(4-methoxyphenyl)sulfanyl]-N-methylquinoxalin-2-amine

5,8-bis[(4-methoxyphenyl)sulfanyl]-N-methylquinoxalin-2-amine (PubChem CID 71186469) has the molecular formula C23H21N3O2S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 5,8-bis[(4-methoxyphenyl)sulfanyl]-N-methylquinoxalin-2-amine.

Molecular Properties

Compound Name5,8-bis[(4-methoxyphenyl)sulfanyl]-N-methylquinoxalin-2-amine
PubChem CID71186469
Molecular FormulaC23H21N3O2S2
Molecular Weight435.57 g/mol
Exact Mass435.11
IUPAC Name5,8-bis[(4-methoxyphenyl)sulfanyl]-N-methylquinoxalin-2-amine
SMILESCNc1cnc2c(Sc3ccc(OC)cc3)ccc(Sc3ccc(OC)cc3)c2n1
InChIInChI=1S/C23H21N3O2S2/c1-24-21-14-25-22-19(29-17-8-4-15(27-2)5-9-17)12-13-20(23(22)26-21)30-18-10-6-16(28-3)7-11-18/h4-14H,1-3H3,(H,24,26)
InChIKeyMTEVYLYIDXJKFA-UHFFFAOYSA-N
XLogP5.99
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5,8-bis[(4-methoxyphenyl)sulfanyl]phthalazine
CID 71186149
6-(4-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine
CID 80883462
8-(4-methoxyphenyl)sulfanylquinoline
CID 177466194
4-(4-methoxyphenyl)sulfanyl-7-nitro-2,1,3-benzothiadiazole
CID 155694575
6-(4-methoxyphenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80882227
1-methoxy-4-(2-methylphenyl)sulfanylbenzene
CID 58715666
1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene
CID 132916371
[5-methoxy-2-(4-methoxyphenyl)sulfanylphenyl]-dimethylsulfanium
CID 166590302
2-methoxy-1-(4-methoxyphenyl)sulfanyl-4-methylbenzene
CID 18738952
6-(3-methoxyphenyl)sulfanyl-N-methylpyrazin-2-amine
CID 80884185
[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methanol
CID 63814136
4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene
CID 91877415

Frequently Asked Questions

What is the IUPAC name of 5,8-bis[(4-methoxyphenyl)sulfanyl]-N-methylquinoxalin-2-amine?
The IUPAC name of 5,8-bis[(4-methoxyphenyl)sulfanyl]-N-methylquinoxalin-2-amine (CID 71186469) is 5,8-bis[(4-methoxyphenyl)sulfanyl]-N-methylquinoxalin-2-amine.
What is the SMILES notation for 5,8-bis[(4-methoxyphenyl)sulfanyl]-N-methylquinoxalin-2-amine?
The canonical SMILES for 5,8-bis[(4-methoxyphenyl)sulfanyl]-N-methylquinoxalin-2-amine is CNc1cnc2c(Sc3ccc(OC)cc3)ccc(Sc3ccc(OC)cc3)c2n1.
What is the InChIKey of 5,8-bis[(4-methoxyphenyl)sulfanyl]-N-methylquinoxalin-2-amine?
The InChIKey is MTEVYLYIDXJKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S2/c1-24-21-14-25-22-19(29-17-8-4-15(27-2)5-9-17)12-13-20(23(22)26-21)30-18-10-6-16(28-3)7-11-18/h4-14H,1-3H3,(H,24,26).
What are the key properties of 5,8-bis[(4-methoxyphenyl)sulfanyl]-N-methylquinoxalin-2-amine?
5,8-bis[(4-methoxyphenyl)sulfanyl]-N-methylquinoxalin-2-amine has a molecular weight of 435.57 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-bis[(4-methoxyphenyl)sulfanyl]-N-methylquinoxalin-2-amine is sourced from PubChem (CID 71186469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).