2-N,3-N-bis(3,4-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine

C28H26N4O4 — CID 70165713

IUPAC2-N,3-N-bis(3,4-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine
SMILESCOc1ccc(Nc2nc3cc4ccccc4cc3nc2Nc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C28H26N4O4/c1-33-23-11-9-19(15-25(23)35-3)29-27-28(30-20-10-12-24(34-2)26(16-20)36-4)32-22-14-18-8-6-5-7-17(18)13-21(22)31-27/h5-16H,1-4H3,(H,29,31)(H,30,32)
InChIKeyKIYSVAZNITZZOF-UHFFFAOYSA-N
MW482.54 g/mol
LogP6.30
Rot. Bonds8

About 2-N,3-N-bis(3,4-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine

2-N,3-N-bis(3,4-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine (PubChem CID 70165713) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is 2-N,3-N-bis(3,4-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-bis(3,4-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine
PubChem CID70165713
Molecular FormulaC28H26N4O4
Molecular Weight482.54 g/mol
Exact Mass482.20
IUPAC Name2-N,3-N-bis(3,4-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine
SMILESCOc1ccc(Nc2nc3cc4ccccc4cc3nc2Nc2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C28H26N4O4/c1-33-23-11-9-19(15-25(23)35-3)29-27-28(30-20-10-12-24(34-2)26(16-20)36-4)32-22-14-18-8-6-5-7-17(18)13-21(22)31-27/h5-16H,1-4H3,(H,29,31)(H,30,32)
InChIKeyKIYSVAZNITZZOF-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(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine
CID 70166799
5-N,6-N-bis(3,4-dimethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 11676208
N-(3,4-dimethoxyphenyl)-3-methylpyrido[2,3-b]pyrazin-2-amine
CID 54613432
3-chloro-N-[3-(3,4-dimethoxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1413527
N-(3,4-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80920092
N-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-1-amine
CID 156575619
N-(4-bromophenyl)-3-(2-methoxyphenyl)sulfanylbenzo[g]quinoxalin-2-amine
CID 70166205
4-chloro-N-(3,4-dimethoxyphenyl)-1,2,5-thiadiazol-3-amine
CID 43426983
N-(3,4-dimethoxyphenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80911783
6-bromo-N-(3,4-dimethoxyphenyl)pyridin-2-amine
CID 63961087
1-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)hydrazine
CID 67614674
2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid
CID 5076484

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(3,4-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine?
The IUPAC name of 2-N,3-N-bis(3,4-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine (CID 70165713) is 2-N,3-N-bis(3,4-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine.
What is the SMILES notation for 2-N,3-N-bis(3,4-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine?
The canonical SMILES for 2-N,3-N-bis(3,4-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine is COc1ccc(Nc2nc3cc4ccccc4cc3nc2Nc2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 2-N,3-N-bis(3,4-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine?
The InChIKey is KIYSVAZNITZZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O4/c1-33-23-11-9-19(15-25(23)35-3)29-27-28(30-20-10-12-24(34-2)26(16-20)36-4)32-22-14-18-8-6-5-7-17(18)13-21(22)31-27/h5-16H,1-4H3,(H,29,31)(H,30,32).
What are the key properties of 2-N,3-N-bis(3,4-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine?
2-N,3-N-bis(3,4-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(3,4-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine is sourced from PubChem (CID 70165713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).