2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-4-fluoroquinoline

C22H24FN — CID 159845095

IUPAC2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-4-fluoroquinoline
SMILESCc1cc(C)cc(-c2cc(F)c3cc(CC(C)(C)C)ccc3n2)c1
InChIInChI=1S/C22H24FN/c1-14-8-15(2)10-17(9-14)21-12-19(23)18-11-16(13-22(3,4)5)6-7-20(18)24-21/h6-12H,13H2,1-5H3
InChIKeyPYJMEKBIBCRPDD-UHFFFAOYSA-N
MW321.44 g/mol
LogP6.25
Rot. Bonds2

About 2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-4-fluoroquinoline

2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-4-fluoroquinoline (PubChem CID 159845095) has the molecular formula C22H24FN and a molecular weight of 321.44 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-4-fluoroquinoline.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-4-fluoroquinoline
PubChem CID159845095
Molecular FormulaC22H24FN
Molecular Weight321.44 g/mol
Exact Mass321.19
IUPAC Name2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-4-fluoroquinoline
SMILESCc1cc(C)cc(-c2cc(F)c3cc(CC(C)(C)C)ccc3n2)c1
InChIInChI=1S/C22H24FN/c1-14-8-15(2)10-17(9-14)21-12-19(23)18-11-16(13-22(3,4)5)6-7-20(18)24-21/h6-12H,13H2,1-5H3
InChIKeyPYJMEKBIBCRPDD-UHFFFAOYSA-N
XLogP6.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.44
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)quinoline
CID 138464254
3-(3,5-dimethylphenyl)-1-fluorobenzo[f]quinoline
CID 155620657
2-(3,5-dimethylphenyl)-7-(2,2-dimethylpropyl)-5-methylquinoline
CID 140607979
2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline
CID 164787331
2-(3,5-dimethylphenyl)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)quinoline
CID 138464235
2-(3-tert-butyl-5-methylphenyl)-4-(2,2-dimethylpropyl)quinoline
CID 167260846
2-(3,5-dimethylphenyl)-6-fluoro-4-(2-methylpropyl)quinoline
CID 155627713
4-(3,5-dimethylphenyl)-8-(2,2-dimethylpropyl)benzo[f]isoquinoline
CID 156787409
3-[2-(3,5-dimethylphenyl)quinolin-7-yl]-2,2-dimethylpropanenitrile
CID 167260893
[2-(3,5-dimethylphenyl)-4-phenylquinolin-6-yl]-trimethylgermane
CID 156675510
6-(2,2-dimethylpropyl)-1-(3-methylphenyl)naphthalene
CID 157113541
5-(2,2-dimethylpropyl)-2-fluorobenzoic acid
CID 115026901

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-4-fluoroquinoline?
The IUPAC name of 2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-4-fluoroquinoline (CID 159845095) is 2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-4-fluoroquinoline.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-4-fluoroquinoline?
The canonical SMILES for 2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-4-fluoroquinoline is Cc1cc(C)cc(-c2cc(F)c3cc(CC(C)(C)C)ccc3n2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-4-fluoroquinoline?
The InChIKey is PYJMEKBIBCRPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN/c1-14-8-15(2)10-17(9-14)21-12-19(23)18-11-16(13-22(3,4)5)6-7-20(18)24-21/h6-12H,13H2,1-5H3.
What are the key properties of 2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-4-fluoroquinoline?
2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-4-fluoroquinoline has a molecular weight of 321.44 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)-4-fluoroquinoline is sourced from PubChem (CID 159845095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).