1-(6H-indolo[2,3-a]quinolizin-5-ium-3-yl)ethanol

C17H15N2O+ — CID 154346746

IUPAC1-(6H-indolo[2,3-a]quinolizin-5-ium-3-yl)ethanol
SMILESCC(O)c1ccc2[n+](c1)CC=C1C2=Nc2ccccc21
InChIInChI=1S/C17H15N2O/c1-11(20)12-6-7-16-17-14(8-9-19(16)10-12)13-4-2-3-5-15(13)18-17/h2-8,10-11,20H,9H2,1H3/q+1
InChIKeyPZVMFIRQHIUXIH-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.56
Rot. Bonds1

About 1-(6H-indolo[2,3-a]quinolizin-5-ium-3-yl)ethanol

1-(6H-indolo[2,3-a]quinolizin-5-ium-3-yl)ethanol (PubChem CID 154346746) has the molecular formula C17H15N2O+ and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(6H-indolo[2,3-a]quinolizin-5-ium-3-yl)ethanol.

Molecular Properties

Compound Name1-(6H-indolo[2,3-a]quinolizin-5-ium-3-yl)ethanol
PubChem CID154346746
Molecular FormulaC17H15N2O+
Molecular Weight263.32 g/mol
Exact Mass263.12
IUPAC Name1-(6H-indolo[2,3-a]quinolizin-5-ium-3-yl)ethanol
SMILESCC(O)c1ccc2[n+](c1)CC=C1C2=Nc2ccccc21
InChIInChI=1S/C17H15N2O/c1-11(20)12-6-7-16-17-14(8-9-19(16)10-12)13-4-2-3-5-15(13)18-17/h2-8,10-11,20H,9H2,1H3/q+1
InChIKeyPZVMFIRQHIUXIH-UHFFFAOYSA-N
XLogP2.56
TPSA36.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6H-indolo[2,3-a]quinolizin-5-ium-3-yl)ethanol?
The IUPAC name of 1-(6H-indolo[2,3-a]quinolizin-5-ium-3-yl)ethanol (CID 154346746) is 1-(6H-indolo[2,3-a]quinolizin-5-ium-3-yl)ethanol.
What is the SMILES notation for 1-(6H-indolo[2,3-a]quinolizin-5-ium-3-yl)ethanol?
The canonical SMILES for 1-(6H-indolo[2,3-a]quinolizin-5-ium-3-yl)ethanol is CC(O)c1ccc2[n+](c1)CC=C1C2=Nc2ccccc21.
What is the InChIKey of 1-(6H-indolo[2,3-a]quinolizin-5-ium-3-yl)ethanol?
The InChIKey is PZVMFIRQHIUXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N2O/c1-11(20)12-6-7-16-17-14(8-9-19(16)10-12)13-4-2-3-5-15(13)18-17/h2-8,10-11,20H,9H2,1H3/q+1.
What are the key properties of 1-(6H-indolo[2,3-a]quinolizin-5-ium-3-yl)ethanol?
1-(6H-indolo[2,3-a]quinolizin-5-ium-3-yl)ethanol has a molecular weight of 263.32 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6H-indolo[2,3-a]quinolizin-5-ium-3-yl)ethanol is sourced from PubChem (CID 154346746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).