2-[5-ethyl-7-(2-hydroxyethyl)quinoxalino[2,3-b]phenazin-7-ium-14-yl]ethanol

C24H25N4O2+ — CID 58997757

IUPAC2-[5-ethyl-7-(2-hydroxyethyl)quinoxalino[2,3-b]phenazin-7-ium-14-yl]ethanol
SMILESCCN1c2ccccc2N(CCO)c2cc3nc4ccccc4[n+](CCO)c3cc21
InChIInChI=1S/C24H25N4O2/c1-2-26-20-9-5-6-10-21(20)28(12-14-30)23-15-18-22(16-24(23)26)27(11-13-29)19-8-4-3-7-17(19)25-18/h3-10,15-16,29-30H,2,11-14H2,1H3/q+1
InChIKeyJZPRWGVDMWGJSG-UHFFFAOYSA-N
MW401.49 g/mol
LogP3.27
Rot. Bonds5

About 2-[5-ethyl-7-(2-hydroxyethyl)quinoxalino[2,3-b]phenazin-7-ium-14-yl]ethanol

2-[5-ethyl-7-(2-hydroxyethyl)quinoxalino[2,3-b]phenazin-7-ium-14-yl]ethanol (PubChem CID 58997757) has the molecular formula C24H25N4O2+ and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-[5-ethyl-7-(2-hydroxyethyl)quinoxalino[2,3-b]phenazin-7-ium-14-yl]ethanol.

Molecular Properties

Compound Name2-[5-ethyl-7-(2-hydroxyethyl)quinoxalino[2,3-b]phenazin-7-ium-14-yl]ethanol
PubChem CID58997757
Molecular FormulaC24H25N4O2+
Molecular Weight401.49 g/mol
Exact Mass401.20
IUPAC Name2-[5-ethyl-7-(2-hydroxyethyl)quinoxalino[2,3-b]phenazin-7-ium-14-yl]ethanol
SMILESCCN1c2ccccc2N(CCO)c2cc3nc4ccccc4[n+](CCO)c3cc21
InChIInChI=1S/C24H25N4O2/c1-2-26-20-9-5-6-10-21(20)28(12-14-30)23-15-18-22(16-24(23)26)27(11-13-29)19-8-4-3-7-17(19)25-18/h3-10,15-16,29-30H,2,11-14H2,1H3/q+1
InChIKeyJZPRWGVDMWGJSG-UHFFFAOYSA-N
XLogP3.27
TPSA63.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-7-(2-hydroxyethyl)quinoxalino[2,3-b]phenazin-7-ium-14-yl]ethanol?
The IUPAC name of 2-[5-ethyl-7-(2-hydroxyethyl)quinoxalino[2,3-b]phenazin-7-ium-14-yl]ethanol (CID 58997757) is 2-[5-ethyl-7-(2-hydroxyethyl)quinoxalino[2,3-b]phenazin-7-ium-14-yl]ethanol.
What is the SMILES notation for 2-[5-ethyl-7-(2-hydroxyethyl)quinoxalino[2,3-b]phenazin-7-ium-14-yl]ethanol?
The canonical SMILES for 2-[5-ethyl-7-(2-hydroxyethyl)quinoxalino[2,3-b]phenazin-7-ium-14-yl]ethanol is CCN1c2ccccc2N(CCO)c2cc3nc4ccccc4[n+](CCO)c3cc21.
What is the InChIKey of 2-[5-ethyl-7-(2-hydroxyethyl)quinoxalino[2,3-b]phenazin-7-ium-14-yl]ethanol?
The InChIKey is JZPRWGVDMWGJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N4O2/c1-2-26-20-9-5-6-10-21(20)28(12-14-30)23-15-18-22(16-24(23)26)27(11-13-29)19-8-4-3-7-17(19)25-18/h3-10,15-16,29-30H,2,11-14H2,1H3/q+1.
What are the key properties of 2-[5-ethyl-7-(2-hydroxyethyl)quinoxalino[2,3-b]phenazin-7-ium-14-yl]ethanol?
2-[5-ethyl-7-(2-hydroxyethyl)quinoxalino[2,3-b]phenazin-7-ium-14-yl]ethanol has a molecular weight of 401.49 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-7-(2-hydroxyethyl)quinoxalino[2,3-b]phenazin-7-ium-14-yl]ethanol is sourced from PubChem (CID 58997757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).