2-(3-ethyl-12H-indolo[2,3-a]quinolizin-5-ium-2-yl)ethanol

C19H19N2O+ — CID 54580815

IUPAC2-(3-ethyl-12H-indolo[2,3-a]quinolizin-5-ium-2-yl)ethanol
SMILESCCc1c[n+]2ccc3c4ccccc4[nH]c3c2cc1CCO
InChIInChI=1S/C19H18N2O/c1-2-13-12-21-9-7-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14(13)8-10-22/h3-7,9,11-12,22H,2,8,10H2,1H3/p+1
InChIKeyXHUIUBANZNHJEL-UHFFFAOYSA-O
MW291.37 g/mol
LogP3.16
Rot. Bonds3

About 2-(3-ethyl-12H-indolo[2,3-a]quinolizin-5-ium-2-yl)ethanol

2-(3-ethyl-12H-indolo[2,3-a]quinolizin-5-ium-2-yl)ethanol (PubChem CID 54580815) has the molecular formula C19H19N2O+ and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-(3-ethyl-12H-indolo[2,3-a]quinolizin-5-ium-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-ethyl-12H-indolo[2,3-a]quinolizin-5-ium-2-yl)ethanol
PubChem CID54580815
Molecular FormulaC19H19N2O+
Molecular Weight291.37 g/mol
Exact Mass291.15
IUPAC Name2-(3-ethyl-12H-indolo[2,3-a]quinolizin-5-ium-2-yl)ethanol
SMILESCCc1c[n+]2ccc3c4ccccc4[nH]c3c2cc1CCO
InChIInChI=1S/C19H18N2O/c1-2-13-12-21-9-7-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14(13)8-10-22/h3-7,9,11-12,22H,2,8,10H2,1H3/p+1
InChIKeyXHUIUBANZNHJEL-UHFFFAOYSA-O
XLogP3.16
TPSA40.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 2-(3-ethyl-12H-indolo[2,3-a]quinolizin-5-ium-2-yl)ethanol?
The IUPAC name of 2-(3-ethyl-12H-indolo[2,3-a]quinolizin-5-ium-2-yl)ethanol (CID 54580815) is 2-(3-ethyl-12H-indolo[2,3-a]quinolizin-5-ium-2-yl)ethanol.
What is the SMILES notation for 2-(3-ethyl-12H-indolo[2,3-a]quinolizin-5-ium-2-yl)ethanol?
The canonical SMILES for 2-(3-ethyl-12H-indolo[2,3-a]quinolizin-5-ium-2-yl)ethanol is CCc1c[n+]2ccc3c4ccccc4[nH]c3c2cc1CCO.
What is the InChIKey of 2-(3-ethyl-12H-indolo[2,3-a]quinolizin-5-ium-2-yl)ethanol?
The InChIKey is XHUIUBANZNHJEL-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H18N2O/c1-2-13-12-21-9-7-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14(13)8-10-22/h3-7,9,11-12,22H,2,8,10H2,1H3/p+1.
What are the key properties of 2-(3-ethyl-12H-indolo[2,3-a]quinolizin-5-ium-2-yl)ethanol?
2-(3-ethyl-12H-indolo[2,3-a]quinolizin-5-ium-2-yl)ethanol has a molecular weight of 291.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-12H-indolo[2,3-a]quinolizin-5-ium-2-yl)ethanol is sourced from PubChem (CID 54580815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).