2,3-dimethyl-4-(2-methyl-4-phenylphenyl)-7-propan-2-ylquinazolin-3-ium;6,7-dimethyl-5-(2-methylphenyl)-2-propan-2-yl-1,6-naphthyridin-6-ium;4-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium;4-(4-fluoro-2,3,5-trimethylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium

C94H102F2N8+4 — CID 159903965

About 2,3-dimethyl-4-(2-methyl-4-phenylphenyl)-7-propan-2-ylquinazolin-3-ium;6,7-dimethyl-5-(2-methylphenyl)-2-propan-2-yl-1,6-naphthyridin-6-ium;4-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium;4-(4-fluoro-2,3,5-trimethylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium

2,3-dimethyl-4-(2-methyl-4-phenylphenyl)-7-propan-2-ylquinazolin-3-ium;6,7-dimethyl-5-(2-methylphenyl)-2-propan-2-yl-1,6-naphthyridin-6-ium;4-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium;4-(4-fluoro-2,3,5-trimethylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium (PubChem CID 159903965) has the molecular formula C94H102F2N8+4 and a molecular weight of 1381.90 g/mol. Its IUPAC name is 2,3-dimethyl-4-(2-methyl-4-phenylphenyl)-7-propan-2-ylquinazolin-3-ium;6,7-dimethyl-5-(2-methylphenyl)-2-propan-2-yl-1,6-naphthyridin-6-ium;4-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium;4-(4-fluoro-2,3,5-trimethylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium.

Molecular Properties

• Compound Name: 2,3-dimethyl-4-(2-methyl-4-phenylphenyl)-7-propan-2-ylquinazolin-3-ium;6,7-dimethyl-5-(2-methylphenyl)-2-propan-2-yl-1,6-naphthyridin-6-ium;4-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium;4-(4-fluoro-2,3,5-trimethylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium
• PubChem CID: 159903965
• Molecular Formula: C94H102F2N8+4
• Molecular Weight: 1381.90 g/mol
• Exact Mass: 1380.82
• IUPAC Name: 2,3-dimethyl-4-(2-methyl-4-phenylphenyl)-7-propan-2-ylquinazolin-3-ium;6,7-dimethyl-5-(2-methylphenyl)-2-propan-2-yl-1,6-naphthyridin-6-ium;4-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium;4-(4-fluoro-2,3,5-trimethylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium
• SMILES: Cc1cc(-c2c3ccc(C(C)C)cc3nc(C)[n+]2C)c(C)c(C)c1F.Cc1cc(-c2ccccc2)ccc1-c1c2ccc(C(C)C)cc2nc(C)[n+]1C.Cc1cc(F)c(-c2ccccc2)cc1-c1c2ccc(C(C)C)cc2nc(C)[n+]1C.Cc1ccccc1-c1c2ccc(C(C)C)nc2cc(C)[n+]1C
• InChI: InChI=1S/C26H26FN2.C26H27N2.C22H26FN2.C20H23N2/c1-16(2)20-11-12-21-25(14-20)28-18(4)29(5)26(21)22-15-23(24(27)13-17(22)3)19-9-7-6-8-10-19;1-17(2)21-11-14-24-25(16-21)27-19(4)28(5)26(24)23-13-12-22(15-18(23)3)20-9-7-6-8-10-20;1-12(2)17-8-9-18-20(11-17)24-16(6)25(7)22(18)19-10-13(3)21(23)15(5)14(19)4;1-13(2)18-11-10-17-19(21-18)12-15(4)22(5)20(17)16-9-7-6-8-14(16)3/h6-16H,1-5H3;6-17H,1-5H3;8-12H,1-7H3;6-13H,1-5H3/q4*+1
• InChIKey: HNMNVPDEXDVAJP-UHFFFAOYSA-N
• XLogP: 22.10
• TPSA: 67.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1381.90
LogP ≤ 5	22.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(2-methyl-4-phenylphenyl)-7-propan-2-ylquinazolin-3-ium;6,7-dimethyl-5-(2-methylphenyl)-2-propan-2-yl-1,6-naphthyridin-6-ium;4-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium;4-(4-fluoro-2,3,5-trimethylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium?

The IUPAC name of 2,3-dimethyl-4-(2-methyl-4-phenylphenyl)-7-propan-2-ylquinazolin-3-ium;6,7-dimethyl-5-(2-methylphenyl)-2-propan-2-yl-1,6-naphthyridin-6-ium;4-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium;4-(4-fluoro-2,3,5-trimethylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium (CID 159903965) is 2,3-dimethyl-4-(2-methyl-4-phenylphenyl)-7-propan-2-ylquinazolin-3-ium;6,7-dimethyl-5-(2-methylphenyl)-2-propan-2-yl-1,6-naphthyridin-6-ium;4-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium;4-(4-fluoro-2,3,5-trimethylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium.

What is the SMILES notation for 2,3-dimethyl-4-(2-methyl-4-phenylphenyl)-7-propan-2-ylquinazolin-3-ium;6,7-dimethyl-5-(2-methylphenyl)-2-propan-2-yl-1,6-naphthyridin-6-ium;4-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium;4-(4-fluoro-2,3,5-trimethylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium?

The canonical SMILES for 2,3-dimethyl-4-(2-methyl-4-phenylphenyl)-7-propan-2-ylquinazolin-3-ium;6,7-dimethyl-5-(2-methylphenyl)-2-propan-2-yl-1,6-naphthyridin-6-ium;4-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium;4-(4-fluoro-2,3,5-trimethylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium is Cc1cc(-c2c3ccc(C(C)C)cc3nc(C)[n+]2C)c(C)c(C)c1F.Cc1cc(-c2ccccc2)ccc1-c1c2ccc(C(C)C)cc2nc(C)[n+]1C.Cc1cc(F)c(-c2ccccc2)cc1-c1c2ccc(C(C)C)cc2nc(C)[n+]1C.Cc1ccccc1-c1c2ccc(C(C)C)nc2cc(C)[n+]1C.

What is the InChIKey of 2,3-dimethyl-4-(2-methyl-4-phenylphenyl)-7-propan-2-ylquinazolin-3-ium;6,7-dimethyl-5-(2-methylphenyl)-2-propan-2-yl-1,6-naphthyridin-6-ium;4-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium;4-(4-fluoro-2,3,5-trimethylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium?

The InChIKey is HNMNVPDEXDVAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN2.C26H27N2.C22H26FN2.C20H23N2/c1-16(2)20-11-12-21-25(14-20)28-18(4)29(5)26(21)22-15-23(24(27)13-17(22)3)19-9-7-6-8-10-19;1-17(2)21-11-14-24-25(16-21)27-19(4)28(5)26(24)23-13-12-22(15-18(23)3)20-9-7-6-8-10-20;1-12(2)17-8-9-18-20(11-17)24-16(6)25(7)22(18)19-10-13(3)21(23)15(5)14(19)4;1-13(2)18-11-10-17-19(21-18)12-15(4)22(5)20(17)16-9-7-6-8-14(16)3/h6-16H,1-5H3;6-17H,1-5H3;8-12H,1-7H3;6-13H,1-5H3/q4*+1.

What are the key properties of 2,3-dimethyl-4-(2-methyl-4-phenylphenyl)-7-propan-2-ylquinazolin-3-ium;6,7-dimethyl-5-(2-methylphenyl)-2-propan-2-yl-1,6-naphthyridin-6-ium;4-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium;4-(4-fluoro-2,3,5-trimethylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium?

2,3-dimethyl-4-(2-methyl-4-phenylphenyl)-7-propan-2-ylquinazolin-3-ium;6,7-dimethyl-5-(2-methylphenyl)-2-propan-2-yl-1,6-naphthyridin-6-ium;4-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium;4-(4-fluoro-2,3,5-trimethylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium has a molecular weight of 1381.90 g/mol, XLogP of 22.10, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethyl-4-(2-methyl-4-phenylphenyl)-7-propan-2-ylquinazolin-3-ium;6,7-dimethyl-5-(2-methylphenyl)-2-propan-2-yl-1,6-naphthyridin-6-ium;4-(4-fluoro-2-methyl-5-phenylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium;4-(4-fluoro-2,3,5-trimethylphenyl)-2,3-dimethyl-7-propan-2-ylquinazolin-3-ium is sourced from PubChem (CID 159903965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).