5,8-diethyl-2-N,3-N-diphenylquinoxaline-2,3-diamine

C24H24N4 — CID 118870853

IUPAC5,8-diethyl-2-N,3-N-diphenylquinoxaline-2,3-diamine
SMILESCCc1ccc(CC)c2nc(Nc3ccccc3)c(Nc3ccccc3)nc12
InChIInChI=1S/C24H24N4/c1-3-17-15-16-18(4-2)22-21(17)27-23(25-19-11-7-5-8-12-19)24(28-22)26-20-13-9-6-10-14-20/h5-16H,3-4H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyTWZOQDCFZZHCQQ-UHFFFAOYSA-N
MW368.48 g/mol
LogP6.24
Rot. Bonds6

About 5,8-diethyl-2-N,3-N-diphenylquinoxaline-2,3-diamine

5,8-diethyl-2-N,3-N-diphenylquinoxaline-2,3-diamine (PubChem CID 118870853) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is 5,8-diethyl-2-N,3-N-diphenylquinoxaline-2,3-diamine.

Molecular Properties

Compound Name5,8-diethyl-2-N,3-N-diphenylquinoxaline-2,3-diamine
PubChem CID118870853
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC Name5,8-diethyl-2-N,3-N-diphenylquinoxaline-2,3-diamine
SMILESCCc1ccc(CC)c2nc(Nc3ccccc3)c(Nc3ccccc3)nc12
InChIInChI=1S/C24H24N4/c1-3-17-15-16-18(4-2)22-21(17)27-23(25-19-11-7-5-8-12-19)24(28-22)26-20-13-9-6-10-14-20/h5-16H,3-4H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyTWZOQDCFZZHCQQ-UHFFFAOYSA-N
XLogP6.24
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,8-diethyl-2-N,3-N-diphenylquinoxaline-2,3-diamine?
The IUPAC name of 5,8-diethyl-2-N,3-N-diphenylquinoxaline-2,3-diamine (CID 118870853) is 5,8-diethyl-2-N,3-N-diphenylquinoxaline-2,3-diamine.
What is the SMILES notation for 5,8-diethyl-2-N,3-N-diphenylquinoxaline-2,3-diamine?
The canonical SMILES for 5,8-diethyl-2-N,3-N-diphenylquinoxaline-2,3-diamine is CCc1ccc(CC)c2nc(Nc3ccccc3)c(Nc3ccccc3)nc12.
What is the InChIKey of 5,8-diethyl-2-N,3-N-diphenylquinoxaline-2,3-diamine?
The InChIKey is TWZOQDCFZZHCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4/c1-3-17-15-16-18(4-2)22-21(17)27-23(25-19-11-7-5-8-12-19)24(28-22)26-20-13-9-6-10-14-20/h5-16H,3-4H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 5,8-diethyl-2-N,3-N-diphenylquinoxaline-2,3-diamine?
5,8-diethyl-2-N,3-N-diphenylquinoxaline-2,3-diamine has a molecular weight of 368.48 g/mol, XLogP of 6.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-diethyl-2-N,3-N-diphenylquinoxaline-2,3-diamine is sourced from PubChem (CID 118870853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).