4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium

C18H19N2+ — CID 123191467

IUPAC4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium
SMILESCc1ccc(C)c(-c2c3ccc(C)cc3nc[n+]2C)c1
InChIInChI=1S/C18H19N2/c1-12-5-7-14(3)16(9-12)18-15-8-6-13(2)10-17(15)19-11-20(18)4/h5-11H,1-4H3/q+1
InChIKeyWMUFZTULLSPVHK-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.65
Rot. Bonds1

About 4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium

4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium (PubChem CID 123191467) has the molecular formula C18H19N2+ and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium
PubChem CID123191467
Molecular FormulaC18H19N2+
Molecular Weight263.36 g/mol
Exact Mass263.15
IUPAC Name4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium
SMILESCc1ccc(C)c(-c2c3ccc(C)cc3nc[n+]2C)c1
InChIInChI=1S/C18H19N2/c1-12-5-7-14(3)16(9-12)18-15-8-6-13(2)10-17(15)19-11-20(18)4/h5-11H,1-4H3/q+1
InChIKeyWMUFZTULLSPVHK-UHFFFAOYSA-N
XLogP3.65
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluoro-2,3,5-trimethylphenyl)-3,7-dimethylquinazolin-3-ium
CID 123933002
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
4-(2,5-dimethylphenyl)-3-methyl-8-pentan-3-ylquinazolin-3-ium
CID 123283178
6-(2,5-dimethylphenyl)-5-methyl-3,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 159715529
3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium
CID 154594823
6-(3,7-dimethylquinazolin-3-ium-4-yl)-2,7,8-trimethyl-4H-imidazo[1,2-a]indole
CID 157408563
4-(2,3-dimethylphenyl)-3-methylquinazolin-3-ium
CID 170102494
4-(2,5-dimethylphenyl)-9-fluoro-3-methylbenzo[f]isoquinolin-3-ium
CID 170210276
2,3-dimethyl-4-(2-methylphenyl)quinazolin-3-ium;3,6-dimethyl-4-(2-methylphenyl)quinazolin-3-ium;3,7-dimethyl-4-(2-methylphenyl)quinazolin-3-ium;3,8-dimethyl-4-(2-methylphenyl)quinazolin-3-ium;3-methyl-4-(2-methylphenyl)-8-propan-2-ylquinazolin-3-ium;3-methyl-4-(2-methylphenyl)quinazolin-3-ium
CID 159251538
[1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-triphenylsilane
CID 155638155
ditert-butyl-[1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium-6-yl]-methylsilane
CID 155637581
4-(4-fluoro-2-methylphenyl)-3-methyl-7-pentan-3-ylquinazolin-3-ium
CID 123717752

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium?
The IUPAC name of 4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium (CID 123191467) is 4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium?
The canonical SMILES for 4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium is Cc1ccc(C)c(-c2c3ccc(C)cc3nc[n+]2C)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium?
The InChIKey is WMUFZTULLSPVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N2/c1-12-5-7-14(3)16(9-12)18-15-8-6-13(2)10-17(15)19-11-20(18)4/h5-11H,1-4H3/q+1.
What are the key properties of 4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium?
4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium has a molecular weight of 263.36 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium is sourced from PubChem (CID 123191467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).