3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium

C20H17N2+ — CID 154594823

IUPAC3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium
SMILESCc1ccccc1-c1c2cc3ccccc3cc2nc[n+]1C
InChIInChI=1S/C20H17N2/c1-14-7-3-6-10-17(14)20-18-11-15-8-4-5-9-16(15)12-19(18)21-13-22(20)2/h3-13H,1-2H3/q+1
InChIKeyPPTGOVGHAIAFFK-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.19
Rot. Bonds1

About 3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium

3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium (PubChem CID 154594823) has the molecular formula C20H17N2+ and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium.

Molecular Properties

Compound Name3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium
PubChem CID154594823
Molecular FormulaC20H17N2+
Molecular Weight285.37 g/mol
Exact Mass285.14
IUPAC Name3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium
SMILESCc1ccccc1-c1c2cc3ccccc3cc2nc[n+]1C
InChIInChI=1S/C20H17N2/c1-14-7-3-6-10-17(14)20-18-11-15-8-4-5-9-16(15)12-19(18)21-13-22(20)2/h3-13H,1-2H3/q+1
InChIKeyPPTGOVGHAIAFFK-UHFFFAOYSA-N
XLogP4.19
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-4-(2-methylphenyl)pyrido[3,2-d]pyrimidin-3-ium
CID 123952026
4-(2,3-dimethylphenyl)-3-methylquinazolin-3-ium
CID 170102494
16-methyl-17-(2-methylphenyl)-14-aza-16-azoniahexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2,4,6,8,10,13(18),14,16,19,21,23-undecaene
CID 140861521
3-methyl-2-(2-methylphenyl)quinazolin-3-ium
CID 123266247
4-(2,5-dimethylphenyl)-3,7-dimethylquinazolin-3-ium
CID 123191467
5,6-dimethyl-3,9-diaza-5-azoniatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),3,5,8,10,12,14,16-nonaene
CID 163957773
4-methoxy-3-methyl-2-(2-methylphenyl)benzo[g]quinazolin-3-ium
CID 159859700
3-methyl-4-(2-methylphenyl)-[1]benzofuro[2,3-d]pyrimidin-3-ium
CID 155610288
8-cyclobutyl-3-methyl-4-(2-methylphenyl)quinazolin-3-ium
CID 123656345
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
14,17-dimethyl-15-(2-methylphenyl)-17-aza-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 140871342
21-methyl-20-(2-methylphenyl)-14,17-diaza-21-azoniahexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2,4,6,8,10,13,15,17,19(24),20,22-undecaene
CID 140861395

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium?
The IUPAC name of 3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium (CID 154594823) is 3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium.
What is the SMILES notation for 3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium?
The canonical SMILES for 3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium is Cc1ccccc1-c1c2cc3ccccc3cc2nc[n+]1C.
What is the InChIKey of 3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium?
The InChIKey is PPTGOVGHAIAFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N2/c1-14-7-3-6-10-17(14)20-18-11-15-8-4-5-9-16(15)12-19(18)21-13-22(20)2/h3-13H,1-2H3/q+1.
What are the key properties of 3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium?
3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium has a molecular weight of 285.37 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium is sourced from PubChem (CID 154594823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).