2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine

C28H26N4O4 — CID 70166799

IUPAC2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine
SMILESCOc1ccc(OC)c(Nc2nc3cc4ccccc4cc3nc2Nc2cc(OC)ccc2OC)c1
InChIInChI=1S/C28H26N4O4/c1-33-19-9-11-25(35-3)23(15-19)31-27-28(32-24-16-20(34-2)10-12-26(24)36-4)30-22-14-18-8-6-5-7-17(18)13-21(22)29-27/h5-16H,1-4H3,(H,29,31)(H,30,32)
InChIKeyMGDFPHFBDQQBNX-UHFFFAOYSA-N
MW482.54 g/mol
LogP6.30
Rot. Bonds8

About 2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine

2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine (PubChem CID 70166799) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is 2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine
PubChem CID70166799
Molecular FormulaC28H26N4O4
Molecular Weight482.54 g/mol
Exact Mass482.20
IUPAC Name2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine
SMILESCOc1ccc(OC)c(Nc2nc3cc4ccccc4cc3nc2Nc2cc(OC)ccc2OC)c1
InChIInChI=1S/C28H26N4O4/c1-33-19-9-11-25(35-3)23(15-19)31-27-28(32-24-16-20(34-2)10-12-26(24)36-4)30-22-14-18-8-6-5-7-17(18)13-21(22)29-27/h5-16H,1-4H3,(H,29,31)(H,30,32)
InChIKeyMGDFPHFBDQQBNX-UHFFFAOYSA-N
XLogP6.30
TPSA86.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.54
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-N,3-N-bis(3,4-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine
CID 70165713
2-N-(2,5-dimethoxyphenyl)-6-methoxypyridine-2,3-diamine
CID 115320342
N-(2,5-dimethoxyphenyl)-3,7-dimethylquinolin-2-amine
CID 872106
5-N-(2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 2869541
N-(2,5-dimethoxyphenyl)-4-methylquinolin-2-amine
CID 806171
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)quinazolin-4-amine
CID 1393536
4-N-(2,5-dimethoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19142678
4-N-(2,5-dimethoxyphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80769342
2-(2,5-dimethoxyanilino)pyridine-3-carbonitrile
CID 24691895
N-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 59722522
2-[[2-(2,5-dimethoxyanilino)quinazolin-4-yl]amino]propanoic acid
CID 91964007
ethyl 4-(2,5-dimethoxyanilino)quinazoline-2-carboxylate
CID 1192543

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine?
The IUPAC name of 2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine (CID 70166799) is 2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine.
What is the SMILES notation for 2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine?
The canonical SMILES for 2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine is COc1ccc(OC)c(Nc2nc3cc4ccccc4cc3nc2Nc2cc(OC)ccc2OC)c1.
What is the InChIKey of 2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine?
The InChIKey is MGDFPHFBDQQBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O4/c1-33-19-9-11-25(35-3)23(15-19)31-27-28(32-24-16-20(34-2)10-12-26(24)36-4)30-22-14-18-8-6-5-7-17(18)13-21(22)29-27/h5-16H,1-4H3,(H,29,31)(H,30,32).
What are the key properties of 2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine?
2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine has a molecular weight of 482.54 g/mol, XLogP of 6.30, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine is sourced from PubChem (CID 70166799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).