10-methyl-9-[2-methyl-6-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[2-methyl-7-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[1-methyl-4-(trifluoromethyl)pyridin-1-ium-2-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-6-(trifluoromethyl)pyrimidin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-8-(trifluoromethyl)quinazolin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene

C120H84F15N12+5 — CID 159231625

About 10-methyl-9-[2-methyl-6-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[2-methyl-7-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[1-methyl-4-(trifluoromethyl)pyridin-1-ium-2-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-6-(trifluoromethyl)pyrimidin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-8-(trifluoromethyl)quinazolin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene

10-methyl-9-[2-methyl-6-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[2-methyl-7-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[1-methyl-4-(trifluoromethyl)pyridin-1-ium-2-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-6-(trifluoromethyl)pyrimidin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-8-(trifluoromethyl)quinazolin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene (PubChem CID 159231625) has the molecular formula C120H84F15N12+5 and a molecular weight of 1979.05 g/mol. Its IUPAC name is 10-methyl-9-[2-methyl-6-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[2-methyl-7-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[1-methyl-4-(trifluoromethyl)pyridin-1-ium-2-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-6-(trifluoromethyl)pyrimidin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-8-(trifluoromethyl)quinazolin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene.

Molecular Properties

• Compound Name: 10-methyl-9-[2-methyl-6-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[2-methyl-7-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[1-methyl-4-(trifluoromethyl)pyridin-1-ium-2-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-6-(trifluoromethyl)pyrimidin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-8-(trifluoromethyl)quinazolin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene
• PubChem CID: 159231625
• Molecular Formula: C120H84F15N12+5
• Molecular Weight: 1979.05 g/mol
• Exact Mass: 1977.67
• IUPAC Name: 10-methyl-9-[2-methyl-6-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[2-methyl-7-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[1-methyl-4-(trifluoromethyl)pyridin-1-ium-2-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-6-(trifluoromethyl)pyrimidin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-8-(trifluoromethyl)quinazolin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene
• SMILES: Cc1c(-c2c3cc(C(F)(F)F)ccc3cc[n+]2C)n2c3ccccc3c3cccc1c32.Cc1c(-c2c3ccc(C(F)(F)F)cc3cc[n+]2C)n2c3ccccc3c3cccc1c32.Cc1c(-c2c3cccc(C(F)(F)F)c3nc[n+]2C)n2c3ccccc3c3cccc1c32.Cc1c(-c2cc(C(F)(F)F)cc[n+]2C)n2c3ccccc3c3cccc1c32.Cc1c(-c2cc(C(F)(F)F)nc[n+]2C)n2c3ccccc3c3cccc1c32
• InChI: InChI=1S/2C26H18F3N2.C25H17F3N3.C22H16F3N2.C21H15F3N3/c1-15-18-7-5-8-21-20-6-3-4-9-22(20)31(24(18)21)23(15)25-19-11-10-17(26(27,28)29)14-16(19)12-13-30(25)2;1-15-18-7-5-8-20-19-6-3-4-9-22(19)31(24(18)20)23(15)25-21-14-17(26(27,28)29)11-10-16(21)12-13-30(25)2;1-14-15-8-5-9-17-16-7-3-4-12-20(16)31(23(15)17)22(14)24-18-10-6-11-19(25(26,27)28)21(18)29-13-30(24)2;1-13-15-7-5-8-17-16-6-3-4-9-18(16)27(21(15)17)20(13)19-12-14(22(23,24)25)10-11-26(19)2;1-12-13-7-5-8-15-14-6-3-4-9-16(14)27(20(13)15)19(12)17-10-18(21(22,23)24)25-11-26(17)2/h2*3-14H,1-2H3;3-13H,1-2H3;3-12H,1-2H3;3-11H,1-2H3/q5*+1
• InChIKey: CURVFRSMDQZWSD-UHFFFAOYSA-N
• XLogP: 29.76
• TPSA: 67.23 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1979.05
LogP ≤ 5	29.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-methyl-9-[2-methyl-6-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[2-methyl-7-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[1-methyl-4-(trifluoromethyl)pyridin-1-ium-2-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-6-(trifluoromethyl)pyrimidin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-8-(trifluoromethyl)quinazolin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene?

The IUPAC name of 10-methyl-9-[2-methyl-6-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[2-methyl-7-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[1-methyl-4-(trifluoromethyl)pyridin-1-ium-2-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-6-(trifluoromethyl)pyrimidin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-8-(trifluoromethyl)quinazolin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene (CID 159231625) is 10-methyl-9-[2-methyl-6-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[2-methyl-7-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[1-methyl-4-(trifluoromethyl)pyridin-1-ium-2-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-6-(trifluoromethyl)pyrimidin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-8-(trifluoromethyl)quinazolin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene.

What is the SMILES notation for 10-methyl-9-[2-methyl-6-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[2-methyl-7-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[1-methyl-4-(trifluoromethyl)pyridin-1-ium-2-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-6-(trifluoromethyl)pyrimidin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-8-(trifluoromethyl)quinazolin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene?

The canonical SMILES for 10-methyl-9-[2-methyl-6-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[2-methyl-7-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[1-methyl-4-(trifluoromethyl)pyridin-1-ium-2-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-6-(trifluoromethyl)pyrimidin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-8-(trifluoromethyl)quinazolin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene is Cc1c(-c2c3cc(C(F)(F)F)ccc3cc[n+]2C)n2c3ccccc3c3cccc1c32.Cc1c(-c2c3ccc(C(F)(F)F)cc3cc[n+]2C)n2c3ccccc3c3cccc1c32.Cc1c(-c2c3cccc(C(F)(F)F)c3nc[n+]2C)n2c3ccccc3c3cccc1c32.Cc1c(-c2cc(C(F)(F)F)cc[n+]2C)n2c3ccccc3c3cccc1c32.Cc1c(-c2cc(C(F)(F)F)nc[n+]2C)n2c3ccccc3c3cccc1c32.

What is the InChIKey of 10-methyl-9-[2-methyl-6-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[2-methyl-7-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[1-methyl-4-(trifluoromethyl)pyridin-1-ium-2-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-6-(trifluoromethyl)pyrimidin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-8-(trifluoromethyl)quinazolin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene?

The InChIKey is CURVFRSMDQZWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H18F3N2.C25H17F3N3.C22H16F3N2.C21H15F3N3/c1-15-18-7-5-8-21-20-6-3-4-9-22(20)31(24(18)21)23(15)25-19-11-10-17(26(27,28)29)14-16(19)12-13-30(25)2;1-15-18-7-5-8-20-19-6-3-4-9-22(19)31(24(18)20)23(15)25-21-14-17(26(27,28)29)11-10-16(21)12-13-30(25)2;1-14-15-8-5-9-17-16-7-3-4-12-20(16)31(23(15)17)22(14)24-18-10-6-11-19(25(26,27)28)21(18)29-13-30(24)2;1-13-15-7-5-8-17-16-6-3-4-9-18(16)27(21(15)17)20(13)19-12-14(22(23,24)25)10-11-26(19)2;1-12-13-7-5-8-15-14-6-3-4-9-16(14)27(20(13)15)19(12)17-10-18(21(22,23)24)25-11-26(17)2/h2*3-14H,1-2H3;3-13H,1-2H3;3-12H,1-2H3;3-11H,1-2H3/q5*+1.

What are the key properties of 10-methyl-9-[2-methyl-6-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[2-methyl-7-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[1-methyl-4-(trifluoromethyl)pyridin-1-ium-2-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-6-(trifluoromethyl)pyrimidin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-8-(trifluoromethyl)quinazolin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene?

10-methyl-9-[2-methyl-6-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[2-methyl-7-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[1-methyl-4-(trifluoromethyl)pyridin-1-ium-2-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-6-(trifluoromethyl)pyrimidin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-8-(trifluoromethyl)quinazolin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene has a molecular weight of 1979.05 g/mol, XLogP of 29.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 10-methyl-9-[2-methyl-6-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[2-methyl-7-(trifluoromethyl)isoquinolin-2-ium-1-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[1-methyl-4-(trifluoromethyl)pyridin-1-ium-2-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-6-(trifluoromethyl)pyrimidin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene;10-methyl-9-[3-methyl-8-(trifluoromethyl)quinazolin-3-ium-4-yl]-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,9,11(15),12-heptaene is sourced from PubChem (CID 159231625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).