2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine

C26H28N4O2 — CID 1023772

IUPAC2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine
SMILESCOc1ccc(CCNc2nc3ccccc3nc2NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C26H28N4O2/c1-31-21-11-7-19(8-12-21)15-17-27-25-26(30-24-6-4-3-5-23(24)29-25)28-18-16-20-9-13-22(32-2)14-10-20/h3-14H,15-18H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyLWTXSUWAYBTAIJ-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.96
Rot. Bonds10

About 2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine

2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine (PubChem CID 1023772) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine
PubChem CID1023772
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine
SMILESCOc1ccc(CCNc2nc3ccccc3nc2NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C26H28N4O2/c1-31-21-11-7-19(8-12-21)15-17-27-25-26(30-24-6-4-3-5-23(24)29-25)28-18-16-20-9-13-22(32-2)14-10-20/h3-14H,15-18H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyLWTXSUWAYBTAIJ-UHFFFAOYSA-N
XLogP4.96
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methoxybenzenesulfonamide
CID 1405616
N-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-methylquinoxalin-2-amine
CID 133444704
2-(4-methoxyphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]quinazolin-4-amine
CID 20963212
N-[2-(4-methoxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)quinazolin-4-amine
CID 21004071
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline
CID 103731067
2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 79632889
N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 2921932
N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 2002654
3,5-dichloro-6-hydrazinyl-N-[2-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 102762415
N-[3-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoxalin-2-yl]benzenesulfonamide
CID 133434691
N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
CID 65429365
N-[2-(4-methoxyphenyl)ethyl]pteridin-4-amine
CID 58174186

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine?
The IUPAC name of 2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine (CID 1023772) is 2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine.
What is the SMILES notation for 2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine?
The canonical SMILES for 2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine is COc1ccc(CCNc2nc3ccccc3nc2NCCc2ccc(OC)cc2)cc1.
What is the InChIKey of 2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine?
The InChIKey is LWTXSUWAYBTAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-31-21-11-7-19(8-12-21)15-17-27-25-26(30-24-6-4-3-5-23(24)29-25)28-18-16-20-9-13-22(32-2)14-10-20/h3-14H,15-18H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine?
2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine has a molecular weight of 428.54 g/mol, XLogP of 4.96, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine is sourced from PubChem (CID 1023772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).