2-fluoro-1-phenyl-2-quinolin-6-ylpropan-1-one

C18H14FNO — CID 170553040

IUPAC2-fluoro-1-phenyl-2-quinolin-6-ylpropan-1-one
SMILESCC(F)(C(=O)c1ccccc1)c1ccc2ncccc2c1
InChIInChI=1S/C18H14FNO/c1-18(19,17(21)13-6-3-2-4-7-13)15-9-10-16-14(12-15)8-5-11-20-16/h2-12H,1H3
InChIKeyBSNKCIQTNXCAOZ-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.30
Rot. Bonds3

About 2-fluoro-1-phenyl-2-quinolin-6-ylpropan-1-one

2-fluoro-1-phenyl-2-quinolin-6-ylpropan-1-one (PubChem CID 170553040) has the molecular formula C18H14FNO and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-fluoro-1-phenyl-2-quinolin-6-ylpropan-1-one.

Molecular Properties

Compound Name2-fluoro-1-phenyl-2-quinolin-6-ylpropan-1-one
PubChem CID170553040
Molecular FormulaC18H14FNO
Molecular Weight279.31 g/mol
Exact Mass279.11
IUPAC Name2-fluoro-1-phenyl-2-quinolin-6-ylpropan-1-one
SMILESCC(F)(C(=O)c1ccccc1)c1ccc2ncccc2c1
InChIInChI=1S/C18H14FNO/c1-18(19,17(21)13-6-3-2-4-7-13)15-9-10-16-14(12-15)8-5-11-20-16/h2-12H,1H3
InChIKeyBSNKCIQTNXCAOZ-UHFFFAOYSA-N
XLogP4.30
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-2-quinolin-6-ylacetamide
CID 175897040
2,2,2-trifluoro-1-quinolin-6-ylethanone
CID 66466769
ethane;quinoline-6-carboxylic acid
CID 91364452
2-methyl-2-quinolin-6-ylpropanehydrazide
CID 66927115
1-(2-fluorophenyl)-1-quinolin-6-ylethanol
CID 81215960
6-tert-butylquinoline;7-tert-butylquinoline
CID 159076219
carbonic acid;quinoline
CID 23206844
6-(2-methylsulfonylpropan-2-yl)quinoline
CID 91258076
N-quinolin-6-ylbenzamide
CID 833617
4-(1-hydroxy-1-quinolin-6-ylethyl)phenol
CID 83076007
1-(4-chlorophenyl)-1-quinolin-6-ylethanol
CID 81216254
1-(3-fluoro-4-methylphenyl)-1-quinolin-6-ylethanol
CID 81198431

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-phenyl-2-quinolin-6-ylpropan-1-one?
The IUPAC name of 2-fluoro-1-phenyl-2-quinolin-6-ylpropan-1-one (CID 170553040) is 2-fluoro-1-phenyl-2-quinolin-6-ylpropan-1-one.
What is the SMILES notation for 2-fluoro-1-phenyl-2-quinolin-6-ylpropan-1-one?
The canonical SMILES for 2-fluoro-1-phenyl-2-quinolin-6-ylpropan-1-one is CC(F)(C(=O)c1ccccc1)c1ccc2ncccc2c1.
What is the InChIKey of 2-fluoro-1-phenyl-2-quinolin-6-ylpropan-1-one?
The InChIKey is BSNKCIQTNXCAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO/c1-18(19,17(21)13-6-3-2-4-7-13)15-9-10-16-14(12-15)8-5-11-20-16/h2-12H,1H3.
What are the key properties of 2-fluoro-1-phenyl-2-quinolin-6-ylpropan-1-one?
2-fluoro-1-phenyl-2-quinolin-6-ylpropan-1-one has a molecular weight of 279.31 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-phenyl-2-quinolin-6-ylpropan-1-one is sourced from PubChem (CID 170553040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).