3-methyl-4-(2-methylnaphthalen-1-yl)benzo[h]quinazolin-3-ium

C24H19N2+ — CID 176812281

IUPAC3-methyl-4-(2-methylnaphthalen-1-yl)benzo[h]quinazolin-3-ium
SMILESCc1ccc2ccccc2c1-c1c2ccc3ccccc3c2nc[n+]1C
InChIInChI=1S/C24H19N2/c1-16-11-12-17-7-3-5-9-19(17)22(16)24-21-14-13-18-8-4-6-10-20(18)23(21)25-15-26(24)2/h3-15H,1-2H3/q+1
InChIKeyTXRYPGAAMOTORQ-UHFFFAOYSA-N
MW335.43 g/mol
LogP5.34
Rot. Bonds1

About 3-methyl-4-(2-methylnaphthalen-1-yl)benzo[h]quinazolin-3-ium

3-methyl-4-(2-methylnaphthalen-1-yl)benzo[h]quinazolin-3-ium (PubChem CID 176812281) has the molecular formula C24H19N2+ and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-methyl-4-(2-methylnaphthalen-1-yl)benzo[h]quinazolin-3-ium.

Molecular Properties

Compound Name3-methyl-4-(2-methylnaphthalen-1-yl)benzo[h]quinazolin-3-ium
PubChem CID176812281
Molecular FormulaC24H19N2+
Molecular Weight335.43 g/mol
Exact Mass335.15
IUPAC Name3-methyl-4-(2-methylnaphthalen-1-yl)benzo[h]quinazolin-3-ium
SMILESCc1ccc2ccccc2c1-c1c2ccc3ccccc3c2nc[n+]1C
InChIInChI=1S/C24H19N2/c1-16-11-12-17-7-3-5-9-19(17)22(16)24-21-14-13-18-8-4-6-10-20(18)23(21)25-15-26(24)2/h3-15H,1-2H3/q+1
InChIKeyTXRYPGAAMOTORQ-UHFFFAOYSA-N
XLogP5.34
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.43
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
1,4-dimethyl-6-(3-methylphenanthren-4-yl)pyrimidin-1-ium
CID 147766854
1-methyl-2-(2-methylnaphthalen-1-yl)-3-phenylpyridin-1-ium
CID 172528370
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
2-methyl-3-(2-methylnaphthalen-1-yl)phenanthro[9,10-c]pyridin-2-ium
CID 59575248
3-methyl-5-(2-methylnaphthalen-1-yl)pyridin-2-amine
CID 83170171
1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
CID 18736750
2,4-difluoro-7-methyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine
CID 153464413
3-methyl-4-(1-methylnaphthalen-2-yl)-5H-cyclopenta[d]pyrimidin-3-ium
CID 159973513
2-methyl-1-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)isoquinolin-2-ium
CID 140827868
4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium
CID 152818349
2-fluoro-7-methyl-8-(3-methyl-[1]benzothiolo[3,2-d]pyrimidin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine
CID 153464743

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methylnaphthalen-1-yl)benzo[h]quinazolin-3-ium?
The IUPAC name of 3-methyl-4-(2-methylnaphthalen-1-yl)benzo[h]quinazolin-3-ium (CID 176812281) is 3-methyl-4-(2-methylnaphthalen-1-yl)benzo[h]quinazolin-3-ium.
What is the SMILES notation for 3-methyl-4-(2-methylnaphthalen-1-yl)benzo[h]quinazolin-3-ium?
The canonical SMILES for 3-methyl-4-(2-methylnaphthalen-1-yl)benzo[h]quinazolin-3-ium is Cc1ccc2ccccc2c1-c1c2ccc3ccccc3c2nc[n+]1C.
What is the InChIKey of 3-methyl-4-(2-methylnaphthalen-1-yl)benzo[h]quinazolin-3-ium?
The InChIKey is TXRYPGAAMOTORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N2/c1-16-11-12-17-7-3-5-9-19(17)22(16)24-21-14-13-18-8-4-6-10-20(18)23(21)25-15-26(24)2/h3-15H,1-2H3/q+1.
What are the key properties of 3-methyl-4-(2-methylnaphthalen-1-yl)benzo[h]quinazolin-3-ium?
3-methyl-4-(2-methylnaphthalen-1-yl)benzo[h]quinazolin-3-ium has a molecular weight of 335.43 g/mol, XLogP of 5.34, 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-methylnaphthalen-1-yl)benzo[h]quinazolin-3-ium is sourced from PubChem (CID 176812281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).