6-methoxy-2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine

C23H16F6N4O3 — CID 155541028

IUPAC6-methoxy-2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine
SMILESCOc1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)c(Nc3ccc(OC(F)(F)F)cc3)nc2c1
InChIInChI=1S/C23H16F6N4O3/c1-34-17-10-11-18-19(12-17)33-21(31-14-4-8-16(9-5-14)36-23(27,28)29)20(32-18)30-13-2-6-15(7-3-13)35-22(24,25)26/h2-12H,1H3,(H,30,32)(H,31,33)
InChIKeyHKYBCJOCIKACOQ-UHFFFAOYSA-N
MW510.39 g/mol
LogP6.92
Rot. Bonds7

About 6-methoxy-2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine

6-methoxy-2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine (PubChem CID 155541028) has the molecular formula C23H16F6N4O3 and a molecular weight of 510.39 g/mol. Its IUPAC name is 6-methoxy-2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name6-methoxy-2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine
PubChem CID155541028
Molecular FormulaC23H16F6N4O3
Molecular Weight510.39 g/mol
Exact Mass510.11
IUPAC Name6-methoxy-2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine
SMILESCOc1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)c(Nc3ccc(OC(F)(F)F)cc3)nc2c1
InChIInChI=1S/C23H16F6N4O3/c1-34-17-10-11-18-19(12-17)33-21(31-14-4-8-16(9-5-14)36-23(27,28)29)20(32-18)30-13-2-6-15(7-3-13)35-22(24,25)26/h2-12H,1H3,(H,30,32)(H,31,33)
InChIKeyHKYBCJOCIKACOQ-UHFFFAOYSA-N
XLogP6.92
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.39
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine?
The IUPAC name of 6-methoxy-2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine (CID 155541028) is 6-methoxy-2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine.
What is the SMILES notation for 6-methoxy-2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine?
The canonical SMILES for 6-methoxy-2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine is COc1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)c(Nc3ccc(OC(F)(F)F)cc3)nc2c1.
What is the InChIKey of 6-methoxy-2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine?
The InChIKey is HKYBCJOCIKACOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F6N4O3/c1-34-17-10-11-18-19(12-17)33-21(31-14-4-8-16(9-5-14)36-23(27,28)29)20(32-18)30-13-2-6-15(7-3-13)35-22(24,25)26/h2-12H,1H3,(H,30,32)(H,31,33).
What are the key properties of 6-methoxy-2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine?
6-methoxy-2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine has a molecular weight of 510.39 g/mol, XLogP of 6.92, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine is sourced from PubChem (CID 155541028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).