7-methyl-8-(2-methylphenyl)-2-(2-methylpropyl)-1,7-naphthyridin-7-ium;3-methyl-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium;6-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium;6-methyl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium

C119H123N18+7 — CID 157133638

About 7-methyl-8-(2-methylphenyl)-2-(2-methylpropyl)-1,7-naphthyridin-7-ium;3-methyl-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium;6-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium;6-methyl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium

7-methyl-8-(2-methylphenyl)-2-(2-methylpropyl)-1,7-naphthyridin-7-ium;3-methyl-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium;6-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium;6-methyl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium (PubChem CID 157133638) has the molecular formula C119H123N18+7 and a molecular weight of 1805.42 g/mol. Its IUPAC name is 7-methyl-8-(2-methylphenyl)-2-(2-methylpropyl)-1,7-naphthyridin-7-ium;3-methyl-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium;6-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium;6-methyl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium.

Molecular Properties

• Compound Name: 7-methyl-8-(2-methylphenyl)-2-(2-methylpropyl)-1,7-naphthyridin-7-ium;3-methyl-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium;6-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium;6-methyl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium
• PubChem CID: 157133638
• Molecular Formula: C119H123N18+7
• Molecular Weight: 1805.42 g/mol
• Exact Mass: 1804.01
• IUPAC Name: 7-methyl-8-(2-methylphenyl)-2-(2-methylpropyl)-1,7-naphthyridin-7-ium;3-methyl-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium;6-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium;6-methyl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium
• SMILES: Cc1cc(C)c(C)c(-c2c3ccc(C(C)C)nc3cc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3cccnc3cc[n+]2C)c1.Cc1ccccc1-c1c2cccnc2nc[n+]1C.Cc1ccccc1-c1c2ccncc2nc[n+]1C.Cc1ccccc1-c1c2cnccc2nc[n+]1C.Cc1ccccc1-c1c2nc(CC(C)C)ccc2cc[n+]1C.Cc1ccccc1-c1c2ncccc2nc[n+]1C
• InChI: InChI=1S/C21H25N2.C20H23N2.C18H19N2.4C15H14N3/c1-13(2)19-8-7-17-20(22-19)9-10-23(6)21(17)18-12-14(3)11-15(4)16(18)5;1-14(2)13-17-10-9-16-11-12-22(4)20(19(16)21-17)18-8-6-5-7-15(18)3;1-12-10-13(2)14(3)16(11-12)18-15-6-5-8-19-17(15)7-9-20(18)4;1-11-6-3-4-7-12(11)15-14-13(8-5-9-16-14)17-10-18(15)2;1-11-6-3-4-7-12(11)14-13-8-5-9-16-15(13)17-10-18(14)2;1-11-5-3-4-6-12(11)15-13-9-16-8-7-14(13)17-10-18(15)2;1-11-5-3-4-6-12(11)15-13-7-8-16-9-14(13)17-10-18(15)2/h7-13H,1-6H3;5-12,14H,13H2,1-4H3;5-11H,1-4H3;4*3-10H,1-2H3/q7*+1
• InChIKey: XTCJBOFCEPUZNA-UHFFFAOYSA-N
• XLogP: 22.38
• TPSA: 168.95 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1805.42
LogP ≤ 5	22.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-(2-methylphenyl)-2-(2-methylpropyl)-1,7-naphthyridin-7-ium;3-methyl-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium;6-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium;6-methyl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium?

The IUPAC name of 7-methyl-8-(2-methylphenyl)-2-(2-methylpropyl)-1,7-naphthyridin-7-ium;3-methyl-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium;6-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium;6-methyl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium (CID 157133638) is 7-methyl-8-(2-methylphenyl)-2-(2-methylpropyl)-1,7-naphthyridin-7-ium;3-methyl-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium;6-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium;6-methyl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium.

What is the SMILES notation for 7-methyl-8-(2-methylphenyl)-2-(2-methylpropyl)-1,7-naphthyridin-7-ium;3-methyl-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium;6-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium;6-methyl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium?

The canonical SMILES for 7-methyl-8-(2-methylphenyl)-2-(2-methylpropyl)-1,7-naphthyridin-7-ium;3-methyl-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium;6-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium;6-methyl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium is Cc1cc(C)c(C)c(-c2c3ccc(C(C)C)nc3cc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3cccnc3cc[n+]2C)c1.Cc1ccccc1-c1c2cccnc2nc[n+]1C.Cc1ccccc1-c1c2ccncc2nc[n+]1C.Cc1ccccc1-c1c2cnccc2nc[n+]1C.Cc1ccccc1-c1c2nc(CC(C)C)ccc2cc[n+]1C.Cc1ccccc1-c1c2ncccc2nc[n+]1C.

What is the InChIKey of 7-methyl-8-(2-methylphenyl)-2-(2-methylpropyl)-1,7-naphthyridin-7-ium;3-methyl-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium;6-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium;6-methyl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium?

The InChIKey is XTCJBOFCEPUZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N2.C20H23N2.C18H19N2.4C15H14N3/c1-13(2)19-8-7-17-20(22-19)9-10-23(6)21(17)18-12-14(3)11-15(4)16(18)5;1-14(2)13-17-10-9-16-11-12-22(4)20(19(16)21-17)18-8-6-5-7-15(18)3;1-12-10-13(2)14(3)16(11-12)18-15-6-5-8-19-17(15)7-9-20(18)4;1-11-6-3-4-7-12(11)15-14-13(8-5-9-16-14)17-10-18(15)2;1-11-6-3-4-7-12(11)14-13-8-5-9-16-15(13)17-10-18(14)2;1-11-5-3-4-6-12(11)15-13-9-16-8-7-14(13)17-10-18(15)2;1-11-5-3-4-6-12(11)15-13-7-8-16-9-14(13)17-10-18(15)2/h7-13H,1-6H3;5-12,14H,13H2,1-4H3;5-11H,1-4H3;4*3-10H,1-2H3/q7*+1.

What are the key properties of 7-methyl-8-(2-methylphenyl)-2-(2-methylpropyl)-1,7-naphthyridin-7-ium;3-methyl-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium;6-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium;6-methyl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium?

7-methyl-8-(2-methylphenyl)-2-(2-methylpropyl)-1,7-naphthyridin-7-ium;3-methyl-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium;6-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium;6-methyl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium has a molecular weight of 1805.42 g/mol, XLogP of 22.38, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-8-(2-methylphenyl)-2-(2-methylpropyl)-1,7-naphthyridin-7-ium;3-methyl-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[3,4-d]pyrimidin-3-ium;3-methyl-4-(2-methylphenyl)pyrido[4,3-d]pyrimidin-3-ium;6-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium;6-methyl-5-(2,3,5-trimethylphenyl)-1,6-naphthyridin-6-ium is sourced from PubChem (CID 157133638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).