3-(3,5-dimethylphenyl)-1-fluorobenzo[f]quinoline

C21H16FN — CID 155620657

IUPAC3-(3,5-dimethylphenyl)-1-fluorobenzo[f]quinoline
SMILESCc1cc(C)cc(-c2cc(F)c3c(ccc4ccccc43)n2)c1
InChIInChI=1S/C21H16FN/c1-13-9-14(2)11-16(10-13)20-12-18(22)21-17-6-4-3-5-15(17)7-8-19(21)23-20/h3-12H,1-2H3
InChIKeyCUBPNJSRPLWIBC-UHFFFAOYSA-N
MW301.36 g/mol
LogP5.81
Rot. Bonds1

About 3-(3,5-dimethylphenyl)-1-fluorobenzo[f]quinoline

3-(3,5-dimethylphenyl)-1-fluorobenzo[f]quinoline (PubChem CID 155620657) has the molecular formula C21H16FN and a molecular weight of 301.36 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-1-fluorobenzo[f]quinoline.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-1-fluorobenzo[f]quinoline
PubChem CID155620657
Molecular FormulaC21H16FN
Molecular Weight301.36 g/mol
Exact Mass301.13
IUPAC Name3-(3,5-dimethylphenyl)-1-fluorobenzo[f]quinoline
SMILESCc1cc(C)cc(-c2cc(F)c3c(ccc4ccccc43)n2)c1
InChIInChI=1S/C21H16FN/c1-13-9-14(2)11-16(10-13)20-12-18(22)21-17-6-4-3-5-15(17)7-8-19(21)23-20/h3-12H,1-2H3
InChIKeyCUBPNJSRPLWIBC-UHFFFAOYSA-N
XLogP5.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.36
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline
CID 164787331
2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-4-fluoroquinoline
CID 159845095
3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline
CID 17202000
3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)benzo[f]quinoline
CID 44613761
1,3-bis(4-chlorophenyl)benzo[f]quinoline
CID 17201997
3-(4-ethylphenyl)-1-methylbenzo[f]quinoline
CID 3111566
2-(3,5-dimethylphenyl)-4,5-dimethylquinoline
CID 59348519
1,3-bis(4-methoxyphenyl)benzo[f]quinoline
CID 17201995
[2-(3,5-dimethylphenyl)-4-phenylquinolin-6-yl]-trimethylgermane
CID 156675510
2-(3,5-dimethylphenyl)-4-tetraphenylen-2-ylquinoline
CID 164939626
4-(18F)fluoro-2-phenylquinoline
CID 155642613
2-(3-tert-butyl-5-methylphenyl)-4-(2,2-dimethylpropyl)quinoline
CID 167260846

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-1-fluorobenzo[f]quinoline?
The IUPAC name of 3-(3,5-dimethylphenyl)-1-fluorobenzo[f]quinoline (CID 155620657) is 3-(3,5-dimethylphenyl)-1-fluorobenzo[f]quinoline.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-1-fluorobenzo[f]quinoline?
The canonical SMILES for 3-(3,5-dimethylphenyl)-1-fluorobenzo[f]quinoline is Cc1cc(C)cc(-c2cc(F)c3c(ccc4ccccc43)n2)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-1-fluorobenzo[f]quinoline?
The InChIKey is CUBPNJSRPLWIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN/c1-13-9-14(2)11-16(10-13)20-12-18(22)21-17-6-4-3-5-15(17)7-8-19(21)23-20/h3-12H,1-2H3.
What are the key properties of 3-(3,5-dimethylphenyl)-1-fluorobenzo[f]quinoline?
3-(3,5-dimethylphenyl)-1-fluorobenzo[f]quinoline has a molecular weight of 301.36 g/mol, XLogP of 5.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-1-fluorobenzo[f]quinoline is sourced from PubChem (CID 155620657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).