2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline

C21H22FN — CID 164787331

IUPAC2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline
SMILESCc1cc(C)cc(-c2cc(CC(C)(C)F)c3ccccc3n2)c1
InChIInChI=1S/C21H22FN/c1-14-9-15(2)11-16(10-14)20-12-17(13-21(3,4)22)18-7-5-6-8-19(18)23-20/h5-12H,13H2,1-4H3
InChIKeyTZFUSTRGJUYCFX-UHFFFAOYSA-N
MW307.41 g/mol
LogP5.81
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline

2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline (PubChem CID 164787331) has the molecular formula C21H22FN and a molecular weight of 307.41 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline
PubChem CID164787331
Molecular FormulaC21H22FN
Molecular Weight307.41 g/mol
Exact Mass307.17
IUPAC Name2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline
SMILESCc1cc(C)cc(-c2cc(CC(C)(C)F)c3ccccc3n2)c1
InChIInChI=1S/C21H22FN/c1-14-9-15(2)11-16(10-14)20-12-17(13-21(3,4)22)18-7-5-6-8-19(18)23-20/h5-12H,13H2,1-4H3
InChIKeyTZFUSTRGJUYCFX-UHFFFAOYSA-N
XLogP5.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.41
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-tert-butyl-5-methylphenyl)-4-(2,2-dimethylpropyl)quinoline
CID 167260846
2-(3,5-dimethylphenyl)-5-(3,3,3-trifluoropropyl)quinoline
CID 121266831
2-(3,5-dimethylphenyl)-4-tetraphenylen-2-ylquinoline
CID 164939626
4-methyl-2-[4-(trifluoromethyl)phenyl]quinoline
CID 59274673
3-(3,5-dimethylphenyl)-1-fluorobenzo[f]quinoline
CID 155620657
6-(3,5-dimethylphenyl)phenanthridine
CID 122398560
5-[3-(difluoromethyl)-2,4,4,4-tetrafluorobutyl]-2-(3,5-dimethylphenyl)quinoline
CID 175323095
2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-4-fluoroquinoline
CID 159845095
2-(3,5-dimethylphenyl)-4-(4-phenylcyclohexyl)quinoline
CID 157453660
4-(1-bicyclo[2.2.2]octanyl)-2-(3,5-dimethylphenyl)quinoline
CID 156655138
1-(2-fluoro-2-methylpropyl)naphthalene
CID 118859745
4-(3,3,3-trifluoropropyl)-2-(2,3,5-trimethylphenyl)quinoline
CID 130343625

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline?
The IUPAC name of 2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline (CID 164787331) is 2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline?
The canonical SMILES for 2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline is Cc1cc(C)cc(-c2cc(CC(C)(C)F)c3ccccc3n2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline?
The InChIKey is TZFUSTRGJUYCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN/c1-14-9-15(2)11-16(10-14)20-12-17(13-21(3,4)22)18-7-5-6-8-19(18)23-20/h5-12H,13H2,1-4H3.
What are the key properties of 2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline?
2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline has a molecular weight of 307.41 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline is sourced from PubChem (CID 164787331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).