N-benzo[c]quinolizin-11-ium-6-ylacetamide chloride

C15H13ClN2O — CID 10401057

IUPACN-benzo[c]quinolizin-11-ium-6-ylacetamide chloride
SMILESCC(=O)Nc1cc2cccc[n+]2c2ccccc12.[Cl-]
InChIInChI=1S/C15H12N2O.ClH/c1-11(18)16-14-10-12-6-4-5-9-17(12)15-8-3-2-7-13(14)15;/h2-10H,1H3;1H
InChIKeyLLQLBABIZTZHOG-UHFFFAOYSA-N
MW272.74 g/mol
LogP-0.46
Rot. Bonds1

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

N-benzo[c]quinolizin-11-ium-6-ylacetamide chloride (PubChem CID 10401057) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is N-benzo[c]quinolizin-11-ium-6-ylacetamide chloride.

Molecular Properties

Compound NameN-benzo[c]quinolizin-11-ium-6-ylacetamide chloride
PubChem CID10401057
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC NameN-benzo[c]quinolizin-11-ium-6-ylacetamide chloride
SMILESCC(=O)Nc1cc2cccc[n+]2c2ccccc12.[Cl-]
InChIInChI=1S/C15H12N2O.ClH/c1-11(18)16-14-10-12-6-4-5-9-17(12)15-8-3-2-7-13(14)15;/h2-10H,1H3;1H
InChIKeyLLQLBABIZTZHOG-UHFFFAOYSA-N
XLogP-0.46
TPSA33.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 5-0.46
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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Related Compounds

N-benzo[c]quinolizin-11-ium-6-ylacetamide;ethane
CID 142839022
N-(3,4-diaminonaphthalen-1-yl)acetamide
CID 121009554
N-(1-propylquinolin-1-ium-5-yl)acetamide
CID 155486730
N-(3-acetamidoazulen-1-yl)acetamide
CID 86151929
N-[2-(methylamino)phenyl]acetamide
CID 22950987
(2-acetamidophenyl) hypochlorite
CID 150463309
2-acetamidobenzoyl chloride
CID 12520814
sodium;4-acetamidonaphthalene-1,2-disulfonic acid;hydride
CID 174665059
N-(5-acetamido-2,4-dianilinophenyl)acetamide
CID 23026476
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
nitrous acid;N-phenylacetamide
CID 174797407

Frequently Asked Questions

What is the IUPAC name of N-benzo[c]quinolizin-11-ium-6-ylacetamide chloride?
The IUPAC name of N-benzo[c]quinolizin-11-ium-6-ylacetamide chloride (CID 10401057) is N-benzo[c]quinolizin-11-ium-6-ylacetamide chloride.
What is the SMILES notation for N-benzo[c]quinolizin-11-ium-6-ylacetamide chloride?
The canonical SMILES for N-benzo[c]quinolizin-11-ium-6-ylacetamide chloride is CC(=O)Nc1cc2cccc[n+]2c2ccccc12.[Cl-].
What is the InChIKey of N-benzo[c]quinolizin-11-ium-6-ylacetamide chloride?
The InChIKey is LLQLBABIZTZHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O.ClH/c1-11(18)16-14-10-12-6-4-5-9-17(12)15-8-3-2-7-13(14)15;/h2-10H,1H3;1H.
What are the key properties of N-benzo[c]quinolizin-11-ium-6-ylacetamide chloride?
N-benzo[c]quinolizin-11-ium-6-ylacetamide chloride has a molecular weight of 272.74 g/mol, XLogP of -0.46, 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 chloride is sourced from PubChem (CID 10401057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).