6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine

C21H18N4O — CID 820005

IUPAC6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine
SMILESCOc1ccc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2c1
InChIInChI=1S/C21H18N4O/c1-26-17-12-13-18-19(14-17)25-21(23-16-10-6-3-7-11-16)20(24-18)22-15-8-4-2-5-9-15/h2-14H,1H3,(H,22,24)(H,23,25)
InChIKeyHCHPSLAKVJZIDG-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.13
Rot. Bonds5

About 6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine

6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine (PubChem CID 820005) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine.

Molecular Properties

Compound Name6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine
PubChem CID820005
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine
SMILESCOc1ccc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2c1
InChIInChI=1S/C21H18N4O/c1-26-17-12-13-18-19(14-17)25-21(23-16-10-6-3-7-11-16)20(24-18)22-15-8-4-2-5-9-15/h2-14H,1H3,(H,22,24)(H,23,25)
InChIKeyHCHPSLAKVJZIDG-UHFFFAOYSA-N
XLogP5.13
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine?
The IUPAC name of 6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine (CID 820005) is 6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine.
What is the SMILES notation for 6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine?
The canonical SMILES for 6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine is COc1ccc2nc(Nc3ccccc3)c(Nc3ccccc3)nc2c1.
What is the InChIKey of 6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine?
The InChIKey is HCHPSLAKVJZIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-26-17-12-13-18-19(14-17)25-21(23-16-10-6-3-7-11-16)20(24-18)22-15-8-4-2-5-9-15/h2-14H,1H3,(H,22,24)(H,23,25).
What are the key properties of 6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine?
6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine has a molecular weight of 342.40 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N,3-N-diphenylquinoxaline-2,3-diamine is sourced from PubChem (CID 820005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).