6-methyl-8-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)-6H-pyrido[2,1-a]isoindol-5-ium

C25H20N2+2 — CID 59087655

IUPAC6-methyl-8-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)-6H-pyrido[2,1-a]isoindol-5-ium
SMILESCC1c2cc(-c3ccc4c(c3)C[n+]3ccccc3-4)ccc2-c2cccc[n+]21
InChIInChI=1S/C25H20N2/c1-17-23-15-19(9-11-22(23)25-7-3-5-13-27(17)25)18-8-10-21-20(14-18)16-26-12-4-2-6-24(21)26/h2-15,17H,16H2,1H3/q+2
InChIKeyUMGBWQZBXLCPLX-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.55
Rot. Bonds1

About 6-methyl-8-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)-6H-pyrido[2,1-a]isoindol-5-ium

6-methyl-8-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)-6H-pyrido[2,1-a]isoindol-5-ium (PubChem CID 59087655) has the molecular formula C25H20N2+2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 6-methyl-8-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)-6H-pyrido[2,1-a]isoindol-5-ium.

Molecular Properties

Compound Name6-methyl-8-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)-6H-pyrido[2,1-a]isoindol-5-ium
PubChem CID59087655
Molecular FormulaC25H20N2+2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC Name6-methyl-8-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)-6H-pyrido[2,1-a]isoindol-5-ium
SMILESCC1c2cc(-c3ccc4c(c3)C[n+]3ccccc3-4)ccc2-c2cccc[n+]21
InChIInChI=1S/C25H20N2/c1-17-23-15-19(9-11-22(23)25-7-3-5-13-27(17)25)18-8-10-21-20(14-18)16-26-12-4-2-6-24(21)26/h2-15,17H,16H2,1H3/q+2
InChIKeyUMGBWQZBXLCPLX-UHFFFAOYSA-N
XLogP4.55
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-methyl-8-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)-6H-pyrido[2,1-a]isoindol-5-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-phenyl-6H-pyrido[2,1-a]isoindol-5-ium
CID 143096562
6-methyl-9-(4-methylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium
CID 58435194
6-methyl-9-(5-methylthiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium
CID 58435128
10-(4-methylphenyl)-6H-pyrido[2,1-a]isoindol-5-ium
CID 162209498
3-(8-phenyl-6H-pyrido[2,1-a]isoindol-5-ium-6-yl)-1-azoniatetracyclo[9.4.0.02,4.05,10]pentadeca-1(15),5,7,9,11,13-hexaene
CID 170081511
8-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4-methyl-1-azoniatetracyclo[10.4.0.02,5.06,11]hexadeca-1(16),3,6(11),7,9,12,14-heptaene
CID 149104273
ethane;2,26,27-triazoniaoctacyclo[12.12.12.02,7.08,13.015,20.021,26.027,32.033,38]octatriaconta-2,4,6,8,10,12,15,17,19,21,23,25,27,29,31,33,35,37-octadecaene
CID 177317757
spiro[7,20-diazoniapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,6'-pyrido[2,1-a]isoindol-5-ium]
CID 142955188
ethane;9-(6H-pyrido[2,1-a]isoindol-5-ium-9-yl)carbazole
CID 156863063
10-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]-6,7-dihydrobenzo[a]quinolizin-5-ium
CID 123198158
3,6-dimethyl-6H-pyrido[2,1-a]isoindol-5-ium
CID 59725414
6-[2-[1-(6,7-dihydrobenzo[a]quinolizin-5-ium-6-yl)pyridin-1-ium-2-yl]phenyl]-2-methyl-3-phenyl-6,7-dihydrobenzo[a]quinolizin-5-ium
CID 174333547

Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)-6H-pyrido[2,1-a]isoindol-5-ium?
The IUPAC name of 6-methyl-8-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)-6H-pyrido[2,1-a]isoindol-5-ium (CID 59087655) is 6-methyl-8-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)-6H-pyrido[2,1-a]isoindol-5-ium.
What is the SMILES notation for 6-methyl-8-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)-6H-pyrido[2,1-a]isoindol-5-ium?
The canonical SMILES for 6-methyl-8-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)-6H-pyrido[2,1-a]isoindol-5-ium is CC1c2cc(-c3ccc4c(c3)C[n+]3ccccc3-4)ccc2-c2cccc[n+]21.
What is the InChIKey of 6-methyl-8-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)-6H-pyrido[2,1-a]isoindol-5-ium?
The InChIKey is UMGBWQZBXLCPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2/c1-17-23-15-19(9-11-22(23)25-7-3-5-13-27(17)25)18-8-10-21-20(14-18)16-26-12-4-2-6-24(21)26/h2-15,17H,16H2,1H3/q+2.
What are the key properties of 6-methyl-8-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)-6H-pyrido[2,1-a]isoindol-5-ium?
6-methyl-8-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)-6H-pyrido[2,1-a]isoindol-5-ium has a molecular weight of 348.45 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-(6H-pyrido[2,1-a]isoindol-5-ium-8-yl)-6H-pyrido[2,1-a]isoindol-5-ium is sourced from PubChem (CID 59087655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).