1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium

C84H102N10+4 — CID 159004040

About 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium

1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium (PubChem CID 159004040) has the molecular formula C84H102N10+4 and a molecular weight of 1251.81 g/mol. Its IUPAC name is 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium.

Molecular Properties

• Compound Name: 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium
• PubChem CID: 159004040
• Molecular Formula: C84H102N10+4
• Molecular Weight: 1251.81 g/mol
• Exact Mass: 1250.83
• IUPAC Name: 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium
• SMILES: Cc1cc(C)c(C)c(-c2ccc3ccc(C(C)C)nc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3ccc(CC(C)C)nc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2cnc3ncc(C(C)C)cc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2cnc3ncc(CC(C)C)cc3[n+]2C)c1
• InChI: InChI=1S/C22H27N2.C21H26N3.C21H25N2.C20H24N3/c1-14(2)11-19-9-7-18-8-10-21(24(6)22(18)23-19)20-13-15(3)12-16(4)17(20)5;1-13(2)7-17-10-19-21(22-11-17)23-12-20(24(19)6)18-9-14(3)8-15(4)16(18)5;1-13(2)19-9-7-17-8-10-20(23(6)21(17)22-19)18-12-14(3)11-15(4)16(18)5;1-12(2)16-9-18-20(21-10-16)22-11-19(23(18)6)17-8-13(3)7-14(4)15(17)5/h7-10,12-14H,11H2,1-6H3;8-13H,7H2,1-6H3;7-13H,1-6H3;7-12H,1-6H3/q4*+1
• InChIKey: SZTWSBZSOWHVGE-UHFFFAOYSA-N
• XLogP: 18.04
• TPSA: 92.86 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1251.81
LogP ≤ 5	18.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium?

The IUPAC name of 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium (CID 159004040) is 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium.

What is the SMILES notation for 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium?

The canonical SMILES for 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium is Cc1cc(C)c(C)c(-c2ccc3ccc(C(C)C)nc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3ccc(CC(C)C)nc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2cnc3ncc(C(C)C)cc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2cnc3ncc(CC(C)C)cc3[n+]2C)c1.

What is the InChIKey of 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium?

The InChIKey is SZTWSBZSOWHVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N2.C21H26N3.C21H25N2.C20H24N3/c1-14(2)11-19-9-7-18-8-10-21(24(6)22(18)23-19)20-13-15(3)12-16(4)17(20)5;1-13(2)7-17-10-19-21(22-11-17)23-12-20(24(19)6)18-9-14(3)8-15(4)16(18)5;1-13(2)19-9-7-17-8-10-20(23(6)21(17)22-19)18-12-14(3)11-15(4)16(18)5;1-12(2)16-9-18-20(21-10-16)22-11-19(23(18)6)17-8-13(3)7-14(4)15(17)5/h7-10,12-14H,11H2,1-6H3;8-13H,7H2,1-6H3;7-13H,1-6H3;7-12H,1-6H3/q4*+1.

What are the key properties of 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium?

1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium has a molecular weight of 1251.81 g/mol, XLogP of 18.04, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)-1,8-naphthyridin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium is sourced from PubChem (CID 159004040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).