N-benzo[c]quinolizin-11-ium-6-ylacetamide;ethane

C17H19N2O+ — CID 142839022

IUPACN-benzo[c]quinolizin-11-ium-6-ylacetamide;ethane
SMILESCC.CC(=O)Nc1cc2cccc[n+]2c2ccccc12
InChIInChI=1S/C15H12N2O.C2H6/c1-11(18)16-14-10-12-6-4-5-9-17(12)15-8-3-2-7-13(14)15;1-2/h2-10H,1H3;1-2H3/p+1
InChIKeyMTSOPODYGXLPND-UHFFFAOYSA-O
MW267.35 g/mol
LogP3.56
Rot. Bonds1

About N-benzo[c]quinolizin-11-ium-6-ylacetamide;ethane

N-benzo[c]quinolizin-11-ium-6-ylacetamide;ethane (PubChem CID 142839022) has the molecular formula C17H19N2O+ and a molecular weight of 267.35 g/mol. Its IUPAC name is N-benzo[c]quinolizin-11-ium-6-ylacetamide;ethane.

Molecular Properties

Compound NameN-benzo[c]quinolizin-11-ium-6-ylacetamide;ethane
PubChem CID142839022
Molecular FormulaC17H19N2O+
Molecular Weight267.35 g/mol
Exact Mass267.15
IUPAC NameN-benzo[c]quinolizin-11-ium-6-ylacetamide;ethane
SMILESCC.CC(=O)Nc1cc2cccc[n+]2c2ccccc12
InChIInChI=1S/C15H12N2O.C2H6/c1-11(18)16-14-10-12-6-4-5-9-17(12)15-8-3-2-7-13(14)15;1-2/h2-10H,1H3;1-2H3/p+1
InChIKeyMTSOPODYGXLPND-UHFFFAOYSA-O
XLogP3.56
TPSA33.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzo[c]quinolizin-11-ium-6-ylacetamide;ethane?
The IUPAC name of N-benzo[c]quinolizin-11-ium-6-ylacetamide;ethane (CID 142839022) is N-benzo[c]quinolizin-11-ium-6-ylacetamide;ethane.
What is the SMILES notation for N-benzo[c]quinolizin-11-ium-6-ylacetamide;ethane?
The canonical SMILES for N-benzo[c]quinolizin-11-ium-6-ylacetamide;ethane is CC.CC(=O)Nc1cc2cccc[n+]2c2ccccc12.
What is the InChIKey of N-benzo[c]quinolizin-11-ium-6-ylacetamide;ethane?
The InChIKey is MTSOPODYGXLPND-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H12N2O.C2H6/c1-11(18)16-14-10-12-6-4-5-9-17(12)15-8-3-2-7-13(14)15;1-2/h2-10H,1H3;1-2H3/p+1.
What are the key properties of N-benzo[c]quinolizin-11-ium-6-ylacetamide;ethane?
N-benzo[c]quinolizin-11-ium-6-ylacetamide;ethane has a molecular weight of 267.35 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[c]quinolizin-11-ium-6-ylacetamide;ethane is sourced from PubChem (CID 142839022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).