2-(3,5-dimethylphenyl)-7-fluoroquinoline

C17H14FN — CID 59288826

IUPAC2-(3,5-dimethylphenyl)-7-fluoroquinoline
SMILESCc1cc(C)cc(-c2ccc3ccc(F)cc3n2)c1
InChIInChI=1S/C17H14FN/c1-11-7-12(2)9-14(8-11)16-6-4-13-3-5-15(18)10-17(13)19-16/h3-10H,1-2H3
InChIKeyIZTBWFOWDMUWAI-UHFFFAOYSA-N
MW251.30 g/mol
LogP4.66
Rot. Bonds1

About 2-(3,5-dimethylphenyl)-7-fluoroquinoline

2-(3,5-dimethylphenyl)-7-fluoroquinoline (PubChem CID 59288826) has the molecular formula C17H14FN and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-7-fluoroquinoline.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-7-fluoroquinoline
PubChem CID59288826
Molecular FormulaC17H14FN
Molecular Weight251.30 g/mol
Exact Mass251.11
IUPAC Name2-(3,5-dimethylphenyl)-7-fluoroquinoline
SMILESCc1cc(C)cc(-c2ccc3ccc(F)cc3n2)c1
InChIInChI=1S/C17H14FN/c1-11-7-12(2)9-14(8-11)16-6-4-13-3-5-15(18)10-17(13)19-16/h3-10H,1-2H3
InChIKeyIZTBWFOWDMUWAI-UHFFFAOYSA-N
XLogP4.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-7-fluoroquinoline?
The IUPAC name of 2-(3,5-dimethylphenyl)-7-fluoroquinoline (CID 59288826) is 2-(3,5-dimethylphenyl)-7-fluoroquinoline.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-7-fluoroquinoline?
The canonical SMILES for 2-(3,5-dimethylphenyl)-7-fluoroquinoline is Cc1cc(C)cc(-c2ccc3ccc(F)cc3n2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-7-fluoroquinoline?
The InChIKey is IZTBWFOWDMUWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN/c1-11-7-12(2)9-14(8-11)16-6-4-13-3-5-15(18)10-17(13)19-16/h3-10H,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-7-fluoroquinoline?
2-(3,5-dimethylphenyl)-7-fluoroquinoline has a molecular weight of 251.30 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-7-fluoroquinoline is sourced from PubChem (CID 59288826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).