N-(3,4-dimethoxyphenyl)-2-thiophen-2-ylbenzo[g]quinoxalin-3-amine

C24H19N3O2S — CID 70166183

IUPACN-(3,4-dimethoxyphenyl)-2-thiophen-2-ylbenzo[g]quinoxalin-3-amine
SMILESCOc1ccc(Nc2nc3cc4ccccc4cc3nc2-c2cccs2)cc1OC
InChIInChI=1S/C24H19N3O2S/c1-28-20-10-9-17(14-21(20)29-2)25-24-23(22-8-5-11-30-22)26-18-12-15-6-3-4-7-16(15)13-19(18)27-24/h3-14H,1-2H3,(H,25,27)
InChIKeyQKTDTLHHAFVPDO-UHFFFAOYSA-N
MW413.50 g/mol
LogP6.27
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-2-thiophen-2-ylbenzo[g]quinoxalin-3-amine

N-(3,4-dimethoxyphenyl)-2-thiophen-2-ylbenzo[g]quinoxalin-3-amine (PubChem CID 70166183) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-thiophen-2-ylbenzo[g]quinoxalin-3-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-thiophen-2-ylbenzo[g]quinoxalin-3-amine
PubChem CID70166183
Molecular FormulaC24H19N3O2S
Molecular Weight413.50 g/mol
Exact Mass413.12
IUPAC NameN-(3,4-dimethoxyphenyl)-2-thiophen-2-ylbenzo[g]quinoxalin-3-amine
SMILESCOc1ccc(Nc2nc3cc4ccccc4cc3nc2-c2cccs2)cc1OC
InChIInChI=1S/C24H19N3O2S/c1-28-20-10-9-17(14-21(20)29-2)25-24-23(22-8-5-11-30-22)26-18-12-15-6-3-4-7-16(15)13-19(18)27-24/h3-14H,1-2H3,(H,25,27)
InChIKeyQKTDTLHHAFVPDO-UHFFFAOYSA-N
XLogP6.27
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-thiophen-2-ylbenzo[g]quinoxalin-3-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-thiophen-2-ylbenzo[g]quinoxalin-3-amine (CID 70166183) is N-(3,4-dimethoxyphenyl)-2-thiophen-2-ylbenzo[g]quinoxalin-3-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-thiophen-2-ylbenzo[g]quinoxalin-3-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-thiophen-2-ylbenzo[g]quinoxalin-3-amine is COc1ccc(Nc2nc3cc4ccccc4cc3nc2-c2cccs2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-thiophen-2-ylbenzo[g]quinoxalin-3-amine?
The InChIKey is QKTDTLHHAFVPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S/c1-28-20-10-9-17(14-21(20)29-2)25-24-23(22-8-5-11-30-22)26-18-12-15-6-3-4-7-16(15)13-19(18)27-24/h3-14H,1-2H3,(H,25,27).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-thiophen-2-ylbenzo[g]quinoxalin-3-amine?
N-(3,4-dimethoxyphenyl)-2-thiophen-2-ylbenzo[g]quinoxalin-3-amine has a molecular weight of 413.50 g/mol, XLogP of 6.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-thiophen-2-ylbenzo[g]quinoxalin-3-amine is sourced from PubChem (CID 70166183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).