4-(5-tert-butyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;4-(5-cyclopentyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;3,7-dimethyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;4-[2,3-dimethyl-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-3-methylquinazolin-3-ium;3-methyl-7-(2-methylpropyl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-7-propan-2-yl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium

C137H162N12+6 — CID 163556974

About 4-(5-tert-butyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;4-(5-cyclopentyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;3,7-dimethyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;4-[2,3-dimethyl-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-3-methylquinazolin-3-ium;3-methyl-7-(2-methylpropyl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-7-propan-2-yl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium

4-(5-tert-butyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;4-(5-cyclopentyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;3,7-dimethyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;4-[2,3-dimethyl-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-3-methylquinazolin-3-ium;3-methyl-7-(2-methylpropyl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-7-propan-2-yl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium (PubChem CID 163556974) has the molecular formula C137H162N12+6 and a molecular weight of 1976.89 g/mol. Its IUPAC name is 4-(5-tert-butyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;4-(5-cyclopentyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;3,7-dimethyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;4-[2,3-dimethyl-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-3-methylquinazolin-3-ium;3-methyl-7-(2-methylpropyl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-7-propan-2-yl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium.

Molecular Properties

• Compound Name: 4-(5-tert-butyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;4-(5-cyclopentyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;3,7-dimethyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;4-[2,3-dimethyl-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-3-methylquinazolin-3-ium;3-methyl-7-(2-methylpropyl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-7-propan-2-yl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium
• PubChem CID: 163556974
• Molecular Formula: C137H162N12+6
• Molecular Weight: 1976.89 g/mol
• Exact Mass: 1975.30
• IUPAC Name: 4-(5-tert-butyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;4-(5-cyclopentyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;3,7-dimethyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;4-[2,3-dimethyl-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-3-methylquinazolin-3-ium;3-methyl-7-(2-methylpropyl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-7-propan-2-yl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium
• SMILES: Cc1cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc(-c2c3ccccc3nc[n+]2C)c1C.Cc1cc(C(C)(C)C)cc(-c2c3ccccc3nc[n+]2C)c1C.Cc1cc(C)c(C)c(-c2c3ccc(C(C)C)cc3nc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3ccc(C)cc3nc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3ccc(CC(C)C)cc3nc[n+]2C)c1.Cc1cc(C2CCCC2)cc(-c2c3ccccc3nc[n+]2C)c1C
• InChI: InChI=1S/C32H39N2.C22H25N2.C22H27N2.2C21H25N2.C19H21N2/c1-19(2)24-15-27(20(3)4)31(28(16-24)21(5)6)25-14-22(7)23(8)29(17-25)32-26-12-10-11-13-30(26)33-18-34(32)9;1-15-12-18(17-8-4-5-9-17)13-20(16(15)2)22-19-10-6-7-11-21(19)23-14-24(22)3;1-14(2)9-18-7-8-19-21(12-18)23-13-24(6)22(19)20-11-15(3)10-16(4)17(20)5;1-13(2)17-7-8-18-20(11-17)22-12-23(6)21(18)19-10-14(3)9-15(4)16(19)5;1-14-11-16(21(3,4)5)12-18(15(14)2)20-17-9-7-8-10-19(17)22-13-23(20)6;1-12-6-7-16-18(10-12)20-11-21(5)19(16)17-9-13(2)8-14(3)15(17)4/h10-21H,1-9H3;6-7,10-14,17H,4-5,8-9H2,1-3H3;7-8,10-14H,9H2,1-6H3;2*7-13H,1-6H3;6-11H,1-5H3/q6*+1
• InChIKey: AJZMHDWRBRRVTO-UHFFFAOYSA-N
• XLogP: 31.61
• TPSA: 100.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1976.89
LogP ≤ 5	31.61
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 4-(5-tert-butyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;4-(5-cyclopentyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;3,7-dimethyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;4-[2,3-dimethyl-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-3-methylquinazolin-3-ium;3-methyl-7-(2-methylpropyl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-7-propan-2-yl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium?

The IUPAC name of 4-(5-tert-butyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;4-(5-cyclopentyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;3,7-dimethyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;4-[2,3-dimethyl-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-3-methylquinazolin-3-ium;3-methyl-7-(2-methylpropyl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-7-propan-2-yl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium (CID 163556974) is 4-(5-tert-butyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;4-(5-cyclopentyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;3,7-dimethyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;4-[2,3-dimethyl-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-3-methylquinazolin-3-ium;3-methyl-7-(2-methylpropyl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-7-propan-2-yl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium.

What is the SMILES notation for 4-(5-tert-butyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;4-(5-cyclopentyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;3,7-dimethyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;4-[2,3-dimethyl-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-3-methylquinazolin-3-ium;3-methyl-7-(2-methylpropyl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-7-propan-2-yl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium?

The canonical SMILES for 4-(5-tert-butyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;4-(5-cyclopentyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;3,7-dimethyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;4-[2,3-dimethyl-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-3-methylquinazolin-3-ium;3-methyl-7-(2-methylpropyl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-7-propan-2-yl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium is Cc1cc(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc(-c2c3ccccc3nc[n+]2C)c1C.Cc1cc(C(C)(C)C)cc(-c2c3ccccc3nc[n+]2C)c1C.Cc1cc(C)c(C)c(-c2c3ccc(C(C)C)cc3nc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3ccc(C)cc3nc[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3ccc(CC(C)C)cc3nc[n+]2C)c1.Cc1cc(C2CCCC2)cc(-c2c3ccccc3nc[n+]2C)c1C.

What is the InChIKey of 4-(5-tert-butyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;4-(5-cyclopentyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;3,7-dimethyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;4-[2,3-dimethyl-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-3-methylquinazolin-3-ium;3-methyl-7-(2-methylpropyl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-7-propan-2-yl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium?

The InChIKey is AJZMHDWRBRRVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N2.C22H25N2.C22H27N2.2C21H25N2.C19H21N2/c1-19(2)24-15-27(20(3)4)31(28(16-24)21(5)6)25-14-22(7)23(8)29(17-25)32-26-12-10-11-13-30(26)33-18-34(32)9;1-15-12-18(17-8-4-5-9-17)13-20(16(15)2)22-19-10-6-7-11-21(19)23-14-24(22)3;1-14(2)9-18-7-8-19-21(12-18)23-13-24(6)22(19)20-11-15(3)10-16(4)17(20)5;1-13(2)17-7-8-18-20(11-17)22-12-23(6)21(18)19-10-14(3)9-15(4)16(19)5;1-14-11-16(21(3,4)5)12-18(15(14)2)20-17-9-7-8-10-19(17)22-13-23(20)6;1-12-6-7-16-18(10-12)20-11-21(5)19(16)17-9-13(2)8-14(3)15(17)4/h10-21H,1-9H3;6-7,10-14,17H,4-5,8-9H2,1-3H3;7-8,10-14H,9H2,1-6H3;2*7-13H,1-6H3;6-11H,1-5H3/q6*+1.

What are the key properties of 4-(5-tert-butyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;4-(5-cyclopentyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;3,7-dimethyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;4-[2,3-dimethyl-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-3-methylquinazolin-3-ium;3-methyl-7-(2-methylpropyl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-7-propan-2-yl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium?

4-(5-tert-butyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;4-(5-cyclopentyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;3,7-dimethyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;4-[2,3-dimethyl-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-3-methylquinazolin-3-ium;3-methyl-7-(2-methylpropyl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-7-propan-2-yl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium has a molecular weight of 1976.89 g/mol, XLogP of 31.61, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-tert-butyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;4-(5-cyclopentyl-2,3-dimethylphenyl)-3-methylquinazolin-3-ium;3,7-dimethyl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;4-[2,3-dimethyl-5-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-3-methylquinazolin-3-ium;3-methyl-7-(2-methylpropyl)-4-(2,3,5-trimethylphenyl)quinazolin-3-ium;3-methyl-7-propan-2-yl-4-(2,3,5-trimethylphenyl)quinazolin-3-ium is sourced from PubChem (CID 163556974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).