1-methylbenzo[a]quinolizin-5-ium

C14H12N+ — CID 14709339

IUPAC1-methylbenzo[a]quinolizin-5-ium
SMILESCc1ccc[n+]2ccc3ccccc3c12
InChIInChI=1S/C14H12N/c1-11-5-4-9-15-10-8-12-6-2-3-7-13(12)14(11)15/h2-10H,1H3/q+1
InChIKeyUSMXDUHVIXKVJG-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.89
Rot. Bonds

About 1-methylbenzo[a]quinolizin-5-ium

1-methylbenzo[a]quinolizin-5-ium (PubChem CID 14709339) has the molecular formula C14H12N+ and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-methylbenzo[a]quinolizin-5-ium.

Molecular Properties

Compound Name1-methylbenzo[a]quinolizin-5-ium
PubChem CID14709339
Molecular FormulaC14H12N+
Molecular Weight194.26 g/mol
Exact Mass194.10
IUPAC Name1-methylbenzo[a]quinolizin-5-ium
SMILESCc1ccc[n+]2ccc3ccccc3c12
InChIInChI=1S/C14H12N/c1-11-5-4-9-15-10-8-12-6-2-3-7-13(12)14(11)15/h2-10H,1H3/q+1
InChIKeyUSMXDUHVIXKVJG-UHFFFAOYSA-N
XLogP2.89
TPSA4.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

11-azoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 15782478
1-methoxybenzo[a]quinolizin-5-ium;trifluoromethanesulfonate
CID 135005740
ethane;8-methyl-1-oxidoquinolin-1-ium
CID 91532902
14-azoniahexacyclo[12.12.0.02,11.03,8.017,26.019,24]hexacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23,25-tridecaene
CID 102373956
acetylene;ethane;1-methylnaphthalene
CID 167495690
carbanide;ethane;bis(1-methylnaphthalene);bis(yttrium)
CID 158669660
1-methylquinolizin-5-ium
CID 54492614
4,5-dimethylphenanthridin-5-ium;ethane
CID 142008491
1-methylnaphthalene;stilbene
CID 173370087
10-methoxy-13-methylisoquinolino[2,1-b]isoquinolin-7-ium-9-ol
CID 21417455
azane;1,2-xylene
CID 174280305
methane;1-methylphenanthrene
CID 175001905

Frequently Asked Questions

What is the IUPAC name of 1-methylbenzo[a]quinolizin-5-ium?
The IUPAC name of 1-methylbenzo[a]quinolizin-5-ium (CID 14709339) is 1-methylbenzo[a]quinolizin-5-ium.
What is the SMILES notation for 1-methylbenzo[a]quinolizin-5-ium?
The canonical SMILES for 1-methylbenzo[a]quinolizin-5-ium is Cc1ccc[n+]2ccc3ccccc3c12.
What is the InChIKey of 1-methylbenzo[a]quinolizin-5-ium?
The InChIKey is USMXDUHVIXKVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N/c1-11-5-4-9-15-10-8-12-6-2-3-7-13(12)14(11)15/h2-10H,1H3/q+1.
What are the key properties of 1-methylbenzo[a]quinolizin-5-ium?
1-methylbenzo[a]quinolizin-5-ium has a molecular weight of 194.26 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylbenzo[a]quinolizin-5-ium is sourced from PubChem (CID 14709339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).