9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline

C110H85N10O5+5 — CID 157082833

IUPAC9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline
SMILESCc1ccc2c(oc3ccc4ccncc4c32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ccc4cnccc4c32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ccc4ncccc4c32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3cnc4ccccc4c32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ncc4ccccc4c32)c1-c1cccc[n+]1C
InChIInChI=1S/5C22H17N2O/c1-14-8-9-16-21-15-6-5-12-23-17(15)10-11-19(21)25-22(16)20(14)18-7-3-4-13-24(18)2;1-14-10-11-16-21-15-7-3-4-8-17(15)23-13-19(21)25-22(16)20(14)18-9-5-6-12-24(18)2;1-14-10-11-17-20-16-8-4-3-7-15(16)13-23-22(20)25-21(17)19(14)18-9-5-6-12-24(18)2;1-14-6-8-17-21-16-10-11-23-13-15(16)7-9-19(21)25-22(17)20(14)18-5-3-4-12-24(18)2;1-14-6-8-16-21-17-13-23-11-10-15(17)7-9-19(21)25-22(16)20(14)18-5-3-4-12-24(18)2/h5*3-13H,1-2H3/q5*+1
InChIKeyJTKDIFKOVPVFEH-UHFFFAOYSA-N
MW1626.95 g/mol
LogP24.67
Rot. Bonds5

About 9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline

9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline (PubChem CID 157082833) has the molecular formula C110H85N10O5+5 and a molecular weight of 1626.95 g/mol. Its IUPAC name is 9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline.

Molecular Properties

Compound Name9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline
PubChem CID157082833
Molecular FormulaC110H85N10O5+5
Molecular Weight1626.95 g/mol
Exact Mass1625.67
IUPAC Name9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline
SMILESCc1ccc2c(oc3ccc4ccncc4c32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ccc4cnccc4c32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ccc4ncccc4c32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3cnc4ccccc4c32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ncc4ccccc4c32)c1-c1cccc[n+]1C
InChIInChI=1S/5C22H17N2O/c1-14-8-9-16-21-15-6-5-12-23-17(15)10-11-19(21)25-22(16)20(14)18-7-3-4-13-24(18)2;1-14-10-11-16-21-15-7-3-4-8-17(15)23-13-19(21)25-22(16)20(14)18-9-5-6-12-24(18)2;1-14-10-11-17-20-16-8-4-3-7-15(16)13-23-22(20)25-21(17)19(14)18-9-5-6-12-24(18)2;1-14-6-8-17-21-16-10-11-23-13-15(16)7-9-19(21)25-22(17)20(14)18-5-3-4-12-24(18)2;1-14-6-8-16-21-17-13-23-11-10-15(17)7-9-19(21)25-22(16)20(14)18-5-3-4-12-24(18)2/h5*3-13H,1-2H3/q5*+1
InChIKeyJTKDIFKOVPVFEH-UHFFFAOYSA-N
XLogP24.67
TPSA149.55 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms125
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001626.95
LogP ≤ 524.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline?
The IUPAC name of 9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline (CID 157082833) is 9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline.
What is the SMILES notation for 9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline?
The canonical SMILES for 9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline is Cc1ccc2c(oc3ccc4ccncc4c32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ccc4cnccc4c32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ccc4ncccc4c32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3cnc4ccccc4c32)c1-c1cccc[n+]1C.Cc1ccc2c(oc3ncc4ccccc4c32)c1-c1cccc[n+]1C.
What is the InChIKey of 9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline?
The InChIKey is JTKDIFKOVPVFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/5C22H17N2O/c1-14-8-9-16-21-15-6-5-12-23-17(15)10-11-19(21)25-22(16)20(14)18-7-3-4-13-24(18)2;1-14-10-11-16-21-15-7-3-4-8-17(15)23-13-19(21)25-22(16)20(14)18-9-5-6-12-24(18)2;1-14-10-11-17-20-16-8-4-3-7-15(16)13-23-22(20)25-21(17)19(14)18-9-5-6-12-24(18)2;1-14-6-8-17-21-16-10-11-23-13-15(16)7-9-19(21)25-22(17)20(14)18-5-3-4-12-24(18)2;1-14-6-8-16-21-17-13-23-11-10-15(17)7-9-19(21)25-22(16)20(14)18-5-3-4-12-24(18)2/h5*3-13H,1-2H3/q5*+1.
What are the key properties of 9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline?
9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline has a molecular weight of 1626.95 g/mol, XLogP of 24.67, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]isoquinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-f]quinoline;9-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-h]isoquinoline is sourced from PubChem (CID 157082833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).