4-(2,5-dimethylphenyl)-3,6-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-7-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-8-propan-2-ylquinazolin-3-ium

C96H107N10+5 — CID 159508083

About 4-(2,5-dimethylphenyl)-3,6-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-7-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-8-propan-2-ylquinazolin-3-ium

4-(2,5-dimethylphenyl)-3,6-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-7-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-8-propan-2-ylquinazolin-3-ium (PubChem CID 159508083) has the molecular formula C96H107N10+5 and a molecular weight of 1400.98 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-3,6-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-7-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-8-propan-2-ylquinazolin-3-ium.

Molecular Properties

• Compound Name: 4-(2,5-dimethylphenyl)-3,6-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-7-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-8-propan-2-ylquinazolin-3-ium
• PubChem CID: 159508083
• Molecular Formula: C96H107N10+5
• Molecular Weight: 1400.98 g/mol
• Exact Mass: 1399.87
• IUPAC Name: 4-(2,5-dimethylphenyl)-3,6-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-7-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-8-propan-2-ylquinazolin-3-ium
• SMILES: Cc1ccc(C)c(-c2c3cc(C(C)C)ccc3nc[n+]2C)c1.Cc1ccc(C)c(-c2c3cc(C)ccc3nc[n+]2C)c1.Cc1ccc(C)c(-c2c3ccc(C(C)C)cc3nc[n+]2C)c1.Cc1ccc(C)c(-c2c3ccc(C)cc3nc[n+]2C)c1.Cc1ccc(C)c(-c2c3cccc(C(C)C)c3nc[n+]2C)c1
• InChI: InChI=1S/3C20H23N2.2C18H19N2/c1-13(2)16-8-9-19-18(11-16)20(22(5)12-21-19)17-10-14(3)6-7-15(17)4;1-13(2)16-8-9-17-19(11-16)21-12-22(5)20(17)18-10-14(3)6-7-15(18)4;1-13(2)16-7-6-8-17-19(16)21-12-22(5)20(17)18-11-14(3)9-10-15(18)4;1-12-5-7-14(3)15(9-12)18-16-10-13(2)6-8-17(16)19-11-20(18)4;1-12-5-7-14(3)16(9-12)18-15-8-6-13(2)10-17(15)19-11-20(18)4/h3*6-13H,1-5H3;2*5-11H,1-4H3/q5*+1
• InChIKey: JFQBTKKAKVUESN-UHFFFAOYSA-N
• XLogP: 20.70
• TPSA: 83.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1400.98
LogP ≤ 5	20.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-3,6-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-7-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-8-propan-2-ylquinazolin-3-ium?

The IUPAC name of 4-(2,5-dimethylphenyl)-3,6-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-7-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-8-propan-2-ylquinazolin-3-ium (CID 159508083) is 4-(2,5-dimethylphenyl)-3,6-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-7-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-8-propan-2-ylquinazolin-3-ium.

What is the SMILES notation for 4-(2,5-dimethylphenyl)-3,6-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-7-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-8-propan-2-ylquinazolin-3-ium?

The canonical SMILES for 4-(2,5-dimethylphenyl)-3,6-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-7-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-8-propan-2-ylquinazolin-3-ium is Cc1ccc(C)c(-c2c3cc(C(C)C)ccc3nc[n+]2C)c1.Cc1ccc(C)c(-c2c3cc(C)ccc3nc[n+]2C)c1.Cc1ccc(C)c(-c2c3ccc(C(C)C)cc3nc[n+]2C)c1.Cc1ccc(C)c(-c2c3ccc(C)cc3nc[n+]2C)c1.Cc1ccc(C)c(-c2c3cccc(C(C)C)c3nc[n+]2C)c1.

What is the InChIKey of 4-(2,5-dimethylphenyl)-3,6-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-7-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-8-propan-2-ylquinazolin-3-ium?

The InChIKey is JFQBTKKAKVUESN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H23N2.2C18H19N2/c1-13(2)16-8-9-19-18(11-16)20(22(5)12-21-19)17-10-14(3)6-7-15(17)4;1-13(2)16-8-9-17-19(11-16)21-12-22(5)20(17)18-10-14(3)6-7-15(18)4;1-13(2)16-7-6-8-17-19(16)21-12-22(5)20(17)18-11-14(3)9-10-15(18)4;1-12-5-7-14(3)15(9-12)18-16-10-13(2)6-8-17(16)19-11-20(18)4;1-12-5-7-14(3)16(9-12)18-15-8-6-13(2)10-17(15)19-11-20(18)4/h3*6-13H,1-5H3;2*5-11H,1-4H3/q5*+1.

What are the key properties of 4-(2,5-dimethylphenyl)-3,6-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-7-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-8-propan-2-ylquinazolin-3-ium?

4-(2,5-dimethylphenyl)-3,6-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-7-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-8-propan-2-ylquinazolin-3-ium has a molecular weight of 1400.98 g/mol, XLogP of 20.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,5-dimethylphenyl)-3,6-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-6-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-7-propan-2-ylquinazolin-3-ium;4-(2,5-dimethylphenyl)-3-methyl-8-propan-2-ylquinazolin-3-ium is sourced from PubChem (CID 159508083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).