4-[4-(cyclohexylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(cyclopentylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-(1,4-dimethylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]quinoline

C129H119N10O5+5 — CID 158928230

About 4-[4-(cyclohexylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(cyclopentylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-(1,4-dimethylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]quinoline

4-[4-(cyclohexylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(cyclopentylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-(1,4-dimethylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]quinoline (PubChem CID 158928230) has the molecular formula C129H119N10O5+5 and a molecular weight of 1895.47 g/mol. Its IUPAC name is 4-[4-(cyclohexylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(cyclopentylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-(1,4-dimethylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]quinoline.

Molecular Properties

• Compound Name: 4-[4-(cyclohexylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(cyclopentylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-(1,4-dimethylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]quinoline
• PubChem CID: 158928230
• Molecular Formula: C129H119N10O5+5
• Molecular Weight: 1895.47 g/mol
• Exact Mass: 1893.97
• IUPAC Name: 4-[4-(cyclohexylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(cyclopentylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-(1,4-dimethylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]quinoline
• SMILES: Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2nc4ccccc4cc23)c1.Cc1ccc2c(oc3nc4ccccc4cc32)c1-c1cc(CC2CCCC2)cc[n+]1C.Cc1ccc2c(oc3nc4ccccc4cc32)c1-c1cc(CC2CCCCC2)cc[n+]1C.[2H]C([2H])(C)c1cc[n+](C)c(-c2c(C)ccc3c2oc2nc4ccccc4cc23)c1.[2H]C([2H])([2H])C([2H])(C)c1cc[n+](C)c(-c2c(C)ccc3c2oc2nc4ccccc4cc23)c1
• InChI: InChI=1S/C29H29N2O.C28H27N2O.C25H23N2O.C24H21N2O.C23H19N2O/c1-19-12-13-23-24-18-22-10-6-7-11-25(22)30-29(24)32-28(23)27(19)26-17-21(14-15-31(26)2)16-20-8-4-3-5-9-20;1-18-11-12-22-23-17-21-9-5-6-10-24(21)29-28(23)31-27(22)26(18)25-16-20(13-14-30(25)2)15-19-7-3-4-8-19;1-15(2)17-11-12-27(4)22(14-17)23-16(3)9-10-19-20-13-18-7-5-6-8-21(18)26-25(20)28-24(19)23;1-4-16-11-12-26(3)21(13-16)22-15(2)9-10-18-19-14-17-7-5-6-8-20(17)25-24(19)27-23(18)22;1-14-10-11-25(3)20(12-14)21-15(2)8-9-17-18-13-16-6-4-5-7-19(16)24-23(18)26-22(17)21/h6-7,10-15,17-18,20H,3-5,8-9,16H2,1-2H3;5-6,9-14,16-17,19H,3-4,7-8,15H2,1-2H3;5-15H,1-4H3;5-14H,4H2,1-3H3;4-13H,1-3H3/q5*+1/i;;1D3,15D;4D2
• InChIKey: GGZBCIYXVRMCGP-RLEJZKAISA-N
• XLogP: 30.52
• TPSA: 149.55 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1895.47
LogP ≤ 5	30.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclohexylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(cyclopentylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-(1,4-dimethylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]quinoline?

The IUPAC name of 4-[4-(cyclohexylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(cyclopentylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-(1,4-dimethylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]quinoline (CID 158928230) is 4-[4-(cyclohexylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(cyclopentylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-(1,4-dimethylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]quinoline.

What is the SMILES notation for 4-[4-(cyclohexylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(cyclopentylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-(1,4-dimethylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]quinoline?

The canonical SMILES for 4-[4-(cyclohexylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(cyclopentylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-(1,4-dimethylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]quinoline is Cc1cc[n+](C)c(-c2c(C)ccc3c2oc2nc4ccccc4cc23)c1.Cc1ccc2c(oc3nc4ccccc4cc32)c1-c1cc(CC2CCCC2)cc[n+]1C.Cc1ccc2c(oc3nc4ccccc4cc32)c1-c1cc(CC2CCCCC2)cc[n+]1C.[2H]C([2H])(C)c1cc[n+](C)c(-c2c(C)ccc3c2oc2nc4ccccc4cc23)c1.[2H]C([2H])([2H])C([2H])(C)c1cc[n+](C)c(-c2c(C)ccc3c2oc2nc4ccccc4cc23)c1.

What is the InChIKey of 4-[4-(cyclohexylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(cyclopentylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-(1,4-dimethylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]quinoline?

The InChIKey is GGZBCIYXVRMCGP-RLEJZKAISA-N. The full InChI is InChI=1S/C29H29N2O.C28H27N2O.C25H23N2O.C24H21N2O.C23H19N2O/c1-19-12-13-23-24-18-22-10-6-7-11-25(22)30-29(24)32-28(23)27(19)26-17-21(14-15-31(26)2)16-20-8-4-3-5-9-20;1-18-11-12-22-23-17-21-9-5-6-10-24(21)29-28(23)31-27(22)26(18)25-16-20(13-14-30(25)2)15-19-7-3-4-8-19;1-15(2)17-11-12-27(4)22(14-17)23-16(3)9-10-19-20-13-18-7-5-6-8-21(18)26-25(20)28-24(19)23;1-4-16-11-12-26(3)21(13-16)22-15(2)9-10-18-19-14-17-7-5-6-8-20(17)25-24(19)27-23(18)22;1-14-10-11-25(3)20(12-14)21-15(2)8-9-17-18-13-16-6-4-5-7-19(16)24-23(18)26-22(17)21/h6-7,10-15,17-18,20H,3-5,8-9,16H2,1-2H3;5-6,9-14,16-17,19H,3-4,7-8,15H2,1-2H3;5-15H,1-4H3;5-14H,4H2,1-3H3;4-13H,1-3H3/q5*+1/i;;1D3,15D;4D2;.

What are the key properties of 4-[4-(cyclohexylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(cyclopentylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-(1,4-dimethylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]quinoline?

4-[4-(cyclohexylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(cyclopentylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-(1,4-dimethylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]quinoline has a molecular weight of 1895.47 g/mol, XLogP of 30.52, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(cyclohexylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(cyclopentylmethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-[4-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-3-methyl-[1]benzofuro[2,3-b]quinoline;4-(1,4-dimethylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[2,3-b]quinoline;3-methyl-4-[1-methyl-4-(1,1,1,2-tetradeuteriopropan-2-yl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]quinoline is sourced from PubChem (CID 158928230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).