4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium

C22H15F2N2O+ — CID 152818349

IUPAC4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium
SMILESCc1ccc2c(oc3cc(F)cc(F)c32)c1-c1c2ccccc2nc[n+]1C
InChIInChI=1S/C22H15F2N2O/c1-12-7-8-15-20-16(24)9-13(23)10-18(20)27-22(15)19(12)21-14-5-3-4-6-17(14)25-11-26(21)2/h3-11H,1-2H3/q+1
InChIKeyGDJWVGDWQZTUMN-UHFFFAOYSA-N
MW361.37 g/mol
LogP5.21
Rot. Bonds1

About 4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium

4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium (PubChem CID 152818349) has the molecular formula C22H15F2N2O+ and a molecular weight of 361.37 g/mol. Its IUPAC name is 4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium.

Molecular Properties

Compound Name4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium
PubChem CID152818349
Molecular FormulaC22H15F2N2O+
Molecular Weight361.37 g/mol
Exact Mass361.11
IUPAC Name4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium
SMILESCc1ccc2c(oc3cc(F)cc(F)c32)c1-c1c2ccccc2nc[n+]1C
InChIInChI=1S/C22H15F2N2O/c1-12-7-8-15-20-16(24)9-13(23)10-18(20)27-22(15)19(12)21-14-5-3-4-6-17(14)25-11-26(21)2/h3-11H,1-2H3/q+1
InChIKeyGDJWVGDWQZTUMN-UHFFFAOYSA-N
XLogP5.21
TPSA29.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.37
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-7-(2,2-dimethylpropyl)-3-methylquinazolin-3-ium
CID 153464465
2,4-difluoro-7-methyl-8-(3-methylquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]pyridine
CID 153464413
2-(7,9-difluoro-3-methyldibenzofuran-4-yl)-1,4-dimethyl-5-phenylpyridin-1-ium
CID 153464385
7,8-dimethyl-6-(3-methylquinazolin-3-ium-4-yl)dibenzofuran-3-carbonitrile
CID 170251676
2-methyl-1-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)isoquinolin-2-ium
CID 140827868
2-(7-fluoro-3,9-dimethyldibenzofuran-4-yl)-1,4,5-trimethylpyridin-1-ium
CID 153464728
2-(1,7-difluoro-3-methyldibenzofuran-4-yl)-1,4-dimethyl-5-phenylpyridin-1-ium;2-(7,9-difluoro-3-methyldibenzofuran-4-yl)-1-methyl-5-(2-methylphenyl)pyridin-1-ium;2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methyl-5-(2-methylphenyl)pyridin-1-ium
CID 158757857
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
3-methyl-4-(2-methylnaphthalen-1-yl)benzo[h]quinazolin-3-ium
CID 176812281
3-methyl-4-(3,5,5,8,8-pentamethyl-6,7-dihydroquinazolin-3-ium-4-yl)-[1]benzofuro[2,3-b]quinoline
CID 176822430
2-(1,7-difluoro-3-methyldibenzofuran-4-yl)-1,4-dimethylpyridin-1-ium;2-(7,9-difluoro-3-methyldibenzofuran-4-yl)-1,4-dimethylpyridin-1-ium;2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1,4-dimethylpyridin-1-ium;2-(7-fluoro-3,8-dimethyldibenzofuran-4-yl)-1,4-dimethylpyridin-1-ium;2-(7-fluoro-3-methyldibenzofuran-4-yl)-1,4-dimethylpyridin-1-ium
CID 159104702
2-[7-[4-(3-tert-butylphenyl)phenyl]-9-fluoro-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 164849314

Frequently Asked Questions

What is the IUPAC name of 4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium?
The IUPAC name of 4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium (CID 152818349) is 4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium.
What is the SMILES notation for 4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium?
The canonical SMILES for 4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium is Cc1ccc2c(oc3cc(F)cc(F)c32)c1-c1c2ccccc2nc[n+]1C.
What is the InChIKey of 4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium?
The InChIKey is GDJWVGDWQZTUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N2O/c1-12-7-8-15-20-16(24)9-13(23)10-18(20)27-22(15)19(12)21-14-5-3-4-6-17(14)25-11-26(21)2/h3-11H,1-2H3/q+1.
What are the key properties of 4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium?
4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium has a molecular weight of 361.37 g/mol, XLogP of 5.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,9-difluoro-3-methyldibenzofuran-4-yl)-3-methylquinazolin-3-ium is sourced from PubChem (CID 152818349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).