2,3,8,9-tetrakis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline

C38H30N4O4 — CID 15620164

IUPAC2,3,8,9-tetrakis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline
SMILESCOc1ccc(-c2nc3ccc4nc(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)nc4c3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C38H30N4O4/c1-43-27-13-5-23(6-14-27)33-35(25-9-17-29(45-3)18-10-25)41-37-31(39-33)21-22-32-38(37)42-36(26-11-19-30(46-4)20-12-26)34(40-32)24-7-15-28(44-2)16-8-24/h5-22H,1-4H3
InChIKeyQGXBQAMLYUKFSN-UHFFFAOYSA-N
MW606.68 g/mol
LogP8.28
Rot. Bonds8

About 2,3,8,9-tetrakis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline

2,3,8,9-tetrakis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline (PubChem CID 15620164) has the molecular formula C38H30N4O4 and a molecular weight of 606.68 g/mol. Its IUPAC name is 2,3,8,9-tetrakis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline.

Molecular Properties

Compound Name2,3,8,9-tetrakis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline
PubChem CID15620164
Molecular FormulaC38H30N4O4
Molecular Weight606.68 g/mol
Exact Mass606.23
IUPAC Name2,3,8,9-tetrakis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline
SMILESCOc1ccc(-c2nc3ccc4nc(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)nc4c3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C38H30N4O4/c1-43-27-13-5-23(6-14-27)33-35(25-9-17-29(45-3)18-10-25)41-37-31(39-33)21-22-32-38(37)42-36(26-11-19-30(46-4)20-12-26)34(40-32)24-7-15-28(44-2)16-8-24/h5-22H,1-4H3
InChIKeyQGXBQAMLYUKFSN-UHFFFAOYSA-N
XLogP8.28
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.68
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,3-bis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline
CID 15620161
3-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-6-methylquinoxalin-2-yl]phenyl]-6-methylquinoxaline
CID 58883088
2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167
2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline
CID 121258930
2,3-bis(4-methoxyphenyl)naphtho[2,3-g]quinoxaline;methane
CID 145053980
3-(4-methoxyphenyl)-2-(4-methylphenyl)phenanthro[9,10-b]pyrazine
CID 59081570
6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline
CID 118726434
2,3-bis(4-methoxyphenyl)pyrido[2,3-b]pyrazine
CID 22166291
2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline
CID 21304154
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
N-[2,3-bis(4-methoxyphenyl)quinoxalin-6-yl]-N-methylsulfonylmethanesulfonamide
CID 70654333
2,3-bis(4-methoxyphenyl)-6-(methylsulfonylmethyl)quinoxaline
CID 148501353

Frequently Asked Questions

What is the IUPAC name of 2,3,8,9-tetrakis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline?
The IUPAC name of 2,3,8,9-tetrakis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline (CID 15620164) is 2,3,8,9-tetrakis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline.
What is the SMILES notation for 2,3,8,9-tetrakis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline?
The canonical SMILES for 2,3,8,9-tetrakis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline is COc1ccc(-c2nc3ccc4nc(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)nc4c3nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2,3,8,9-tetrakis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline?
The InChIKey is QGXBQAMLYUKFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N4O4/c1-43-27-13-5-23(6-14-27)33-35(25-9-17-29(45-3)18-10-25)41-37-31(39-33)21-22-32-38(37)42-36(26-11-19-30(46-4)20-12-26)34(40-32)24-7-15-28(44-2)16-8-24/h5-22H,1-4H3.
What are the key properties of 2,3,8,9-tetrakis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline?
2,3,8,9-tetrakis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline has a molecular weight of 606.68 g/mol, XLogP of 8.28, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,8,9-tetrakis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline is sourced from PubChem (CID 15620164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).