9-methoxy-6-methyl-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methyl-1-benzothiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(4-methylnaphthalen-1-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methylnaphthalen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(5-methylthiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium — IUPAC name, SMILES, InChIKey & properties

Name: 9-methoxy-6-methyl-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methyl-1-benzothiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(4-methylnaphthalen-1-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methylnaphthalen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(5-methylthiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 9-methoxy-6-methyl-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methyl-1-benzothiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(4-methylnaphthalen-1-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methylnaphthalen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(5-methylthiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium

9-methoxy-6-methyl-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methyl-1-benzothiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(4-methylnaphthalen-1-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methylnaphthalen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(5-methylthiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium (PubChem CID 160997543) has the molecular formula C102H88N5OS2+5 and a molecular weight of 1463.99 g/mol. Its IUPAC name is 9-methoxy-6-methyl-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methyl-1-benzothiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(4-methylnaphthalen-1-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methylnaphthalen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(5-methylthiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium.

Molecular Properties

Compound Name	9-methoxy-6-methyl-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methyl-1-benzothiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(4-methylnaphthalen-1-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methylnaphthalen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(5-methylthiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium
PubChem CID	160997543
Molecular Formula	C102H88N5OS2+5
Molecular Weight	1463.99 g/mol
Exact Mass	1462.64
IUPAC Name	9-methoxy-6-methyl-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methyl-1-benzothiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(4-methylnaphthalen-1-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methylnaphthalen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(5-methylthiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium
SMILES	COc1ccc2c(c1)-c1cccc[n+]1C2C.Cc1ccc(-c2ccc3c(c2)-c2cccc[n+]2C3C)c2ccccc12.Cc1ccc(-c2ccc3c(c2)-c2cccc[n+]2C3C)s1.Cc1ccc2cc(-c3ccc4c(c3)-c3cccc[n+]3C4C)ccc2c1.Cc1ccc2cc(-c3ccc4c(c3)-c3cccc[n+]3C4C)sc2c1
InChI	InChI=1S/2C24H20N.C22H18NS.C18H16NS.C14H14NO/c1-16-10-12-21(22-8-4-3-7-19(16)22)18-11-13-20-17(2)25-14-6-5-9-24(25)23(20)15-18;1-16-6-7-19-14-20(9-8-18(19)13-16)21-10-11-22-17(2)25-12-4-3-5-24(25)23(22)15-21;1-14-6-7-17-13-22(24-21(17)11-14)16-8-9-18-15(2)23-10-4-3-5-20(23)19(18)12-16;1-12-6-9-18(20-12)14-7-8-15-13(2)19-10-4-3-5-17(19)16(15)11-14;1-10-12-7-6-11(16-2)9-13(12)14-5-3-4-8-15(10)14/h23-15,17H,1-2H3;3-13,15H,1-2H3;3-11,13H,1-2H3;3-10H,1-2H3/q5+1
InChIKey	PEFWQQZJAPJXMM-UHFFFAOYSA-N
XLogP	24.31
TPSA	28.63 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	110
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1463.99
LogP ≤ 5	24.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Analyze 9-methoxy-6-methyl-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methyl-1-benzothiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(4-methylnaphthalen-1-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methylnaphthalen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(5-methylthiophen-2-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

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-6-methyl-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methyl-1-benzothiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(4-methylnaphthalen-1-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methylnaphthalen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(5-methylthiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium?

The IUPAC name of 9-methoxy-6-methyl-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methyl-1-benzothiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(4-methylnaphthalen-1-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methylnaphthalen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(5-methylthiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium (CID 160997543) is 9-methoxy-6-methyl-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methyl-1-benzothiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(4-methylnaphthalen-1-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methylnaphthalen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(5-methylthiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium.

What is the SMILES notation for 9-methoxy-6-methyl-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methyl-1-benzothiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(4-methylnaphthalen-1-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methylnaphthalen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(5-methylthiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium?

The canonical SMILES for 9-methoxy-6-methyl-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methyl-1-benzothiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(4-methylnaphthalen-1-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methylnaphthalen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(5-methylthiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium is COc1ccc2c(c1)-c1cccc[n+]1C2C.Cc1ccc(-c2ccc3c(c2)-c2cccc[n+]2C3C)c2ccccc12.Cc1ccc(-c2ccc3c(c2)-c2cccc[n+]2C3C)s1.Cc1ccc2cc(-c3ccc4c(c3)-c3cccc[n+]3C4C)ccc2c1.Cc1ccc2cc(-c3ccc4c(c3)-c3cccc[n+]3C4C)sc2c1.

What is the InChIKey of 9-methoxy-6-methyl-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methyl-1-benzothiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(4-methylnaphthalen-1-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methylnaphthalen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(5-methylthiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium?

The InChIKey is PEFWQQZJAPJXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H20N.C22H18NS.C18H16NS.C14H14NO/c1-16-10-12-21(22-8-4-3-7-19(16)22)18-11-13-20-17(2)25-14-6-5-9-24(25)23(20)15-18;1-16-6-7-19-14-20(9-8-18(19)13-16)21-10-11-22-17(2)25-12-4-3-5-24(25)23(22)15-21;1-14-6-7-17-13-22(24-21(17)11-14)16-8-9-18-15(2)23-10-4-3-5-20(23)19(18)12-16;1-12-6-9-18(20-12)14-7-8-15-13(2)19-10-4-3-5-17(19)16(15)11-14;1-10-12-7-6-11(16-2)9-13(12)14-5-3-4-8-15(10)14/h2*3-15,17H,1-2H3;3-13,15H,1-2H3;3-11,13H,1-2H3;3-10H,1-2H3/q5*+1.

What are the key properties of 9-methoxy-6-methyl-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methyl-1-benzothiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(4-methylnaphthalen-1-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methylnaphthalen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(5-methylthiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium?

Where does this data come from?

All data for 9-methoxy-6-methyl-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methyl-1-benzothiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(4-methylnaphthalen-1-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(6-methylnaphthalen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium;6-methyl-9-(5-methylthiophen-2-yl)-6H-pyrido[2,1-a]isoindol-5-ium is sourced from PubChem (CID 160997543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).