3-methyl-2-(2-methylphenyl)quinazolin-3-ium

C16H15N2+ — CID 123266247

IUPAC3-methyl-2-(2-methylphenyl)quinazolin-3-ium
SMILESCc1ccccc1-c1nc2ccccc2c[n+]1C
InChIInChI=1S/C16H15N2/c1-12-7-3-5-9-14(12)16-17-15-10-6-4-8-13(15)11-18(16)2/h3-11H,1-2H3/q+1
InChIKeyKIOGCDKQAVFFKB-UHFFFAOYSA-N
MW235.31 g/mol
LogP3.03
Rot. Bonds1

About 3-methyl-2-(2-methylphenyl)quinazolin-3-ium

3-methyl-2-(2-methylphenyl)quinazolin-3-ium (PubChem CID 123266247) has the molecular formula C16H15N2+ and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-methyl-2-(2-methylphenyl)quinazolin-3-ium.

Molecular Properties

Compound Name3-methyl-2-(2-methylphenyl)quinazolin-3-ium
PubChem CID123266247
Molecular FormulaC16H15N2+
Molecular Weight235.31 g/mol
Exact Mass235.12
IUPAC Name3-methyl-2-(2-methylphenyl)quinazolin-3-ium
SMILESCc1ccccc1-c1nc2ccccc2c[n+]1C
InChIInChI=1S/C16H15N2/c1-12-7-3-5-9-14(12)16-17-15-10-6-4-8-13(15)11-18(16)2/h3-11H,1-2H3/q+1
InChIKeyKIOGCDKQAVFFKB-UHFFFAOYSA-N
XLogP3.03
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.03
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

3,6,8,9-tetramethyl-2-(2-methylphenyl)benzo[h]quinazolin-3-ium
CID 158471309
3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium
CID 154594823
4,11-dimethyl-5-(2-methylphenyl)-6,10-diaza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 159935272
4-methoxy-3-methyl-2-(2-methylphenyl)benzo[g]quinazolin-3-ium
CID 159859700
5-tert-butyl-1-methyl-2-(2-methylphenyl)pyrimidin-1-ium
CID 172534817
3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium
CID 123952026
2-methyl-1-(2-methylphenyl)-4-phenylisoquinolin-2-ium
CID 153369780
4-(2,3-dimethylphenyl)-3-methylquinazolin-3-ium
CID 170102494
2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium
CID 123379683
4-methyl-3-(2-methylphenyl)-1,8-diaza-4-azoniatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene
CID 140889698
4,5-dimethylphenanthridin-5-ium;ethane
CID 142008491
2-methyl-4-(2-methylphenyl)quinazoline
CID 149330583

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylphenyl)quinazolin-3-ium?
The IUPAC name of 3-methyl-2-(2-methylphenyl)quinazolin-3-ium (CID 123266247) is 3-methyl-2-(2-methylphenyl)quinazolin-3-ium.
What is the SMILES notation for 3-methyl-2-(2-methylphenyl)quinazolin-3-ium?
The canonical SMILES for 3-methyl-2-(2-methylphenyl)quinazolin-3-ium is Cc1ccccc1-c1nc2ccccc2c[n+]1C.
What is the InChIKey of 3-methyl-2-(2-methylphenyl)quinazolin-3-ium?
The InChIKey is KIOGCDKQAVFFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N2/c1-12-7-3-5-9-14(12)16-17-15-10-6-4-8-13(15)11-18(16)2/h3-11H,1-2H3/q+1.
What are the key properties of 3-methyl-2-(2-methylphenyl)quinazolin-3-ium?
3-methyl-2-(2-methylphenyl)quinazolin-3-ium has a molecular weight of 235.31 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylphenyl)quinazolin-3-ium is sourced from PubChem (CID 123266247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).