2-N,3-N-bis(4-ethoxyphenyl)quinoxaline-2,3-diamine

C24H24N4O2 — CID 1023924

IUPAC2-N,3-N-bis(4-ethoxyphenyl)quinoxaline-2,3-diamine
SMILESCCOc1ccc(Nc2nc3ccccc3nc2Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C24H24N4O2/c1-3-29-19-13-9-17(10-14-19)25-23-24(28-22-8-6-5-7-21(22)27-23)26-18-11-15-20(16-12-18)30-4-2/h5-16H,3-4H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyMDPNKDDPOBCEGO-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.91
Rot. Bonds8

About 2-N,3-N-bis(4-ethoxyphenyl)quinoxaline-2,3-diamine

2-N,3-N-bis(4-ethoxyphenyl)quinoxaline-2,3-diamine (PubChem CID 1023924) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-N,3-N-bis(4-ethoxyphenyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N-bis(4-ethoxyphenyl)quinoxaline-2,3-diamine
PubChem CID1023924
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-N,3-N-bis(4-ethoxyphenyl)quinoxaline-2,3-diamine
SMILESCCOc1ccc(Nc2nc3ccccc3nc2Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C24H24N4O2/c1-3-29-19-13-9-17(10-14-19)25-23-24(28-22-8-6-5-7-21(22)27-23)26-18-11-15-20(16-12-18)30-4-2/h5-16H,3-4H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyMDPNKDDPOBCEGO-UHFFFAOYSA-N
XLogP5.91
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(4-ethoxyphenyl)quinoxaline-2,3-diamine?
The IUPAC name of 2-N,3-N-bis(4-ethoxyphenyl)quinoxaline-2,3-diamine (CID 1023924) is 2-N,3-N-bis(4-ethoxyphenyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 2-N,3-N-bis(4-ethoxyphenyl)quinoxaline-2,3-diamine?
The canonical SMILES for 2-N,3-N-bis(4-ethoxyphenyl)quinoxaline-2,3-diamine is CCOc1ccc(Nc2nc3ccccc3nc2Nc2ccc(OCC)cc2)cc1.
What is the InChIKey of 2-N,3-N-bis(4-ethoxyphenyl)quinoxaline-2,3-diamine?
The InChIKey is MDPNKDDPOBCEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-3-29-19-13-9-17(10-14-19)25-23-24(28-22-8-6-5-7-21(22)27-23)26-18-11-15-20(16-12-18)30-4-2/h5-16H,3-4H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 2-N,3-N-bis(4-ethoxyphenyl)quinoxaline-2,3-diamine?
2-N,3-N-bis(4-ethoxyphenyl)quinoxaline-2,3-diamine has a molecular weight of 400.48 g/mol, XLogP of 5.91, 8 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(4-ethoxyphenyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 1023924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).