1-(2-fluoro-5-methylphenyl)-2-quinolin-2-ylethanone

C18H14FNO — CID 62515015

IUPAC1-(2-fluoro-5-methylphenyl)-2-quinolin-2-ylethanone
SMILESCc1ccc(F)c(C(=O)Cc2ccc3ccccc3n2)c1
InChIInChI=1S/C18H14FNO/c1-12-6-9-16(19)15(10-12)18(21)11-14-8-7-13-4-2-3-5-17(13)20-14/h2-10H,11H2,1H3
InChIKeyKOHCOEDKSXAUFZ-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.11
Rot. Bonds3

About 1-(2-fluoro-5-methylphenyl)-2-quinolin-2-ylethanone

1-(2-fluoro-5-methylphenyl)-2-quinolin-2-ylethanone (PubChem CID 62515015) has the molecular formula C18H14FNO and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-2-quinolin-2-ylethanone.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-2-quinolin-2-ylethanone
PubChem CID62515015
Molecular FormulaC18H14FNO
Molecular Weight279.31 g/mol
Exact Mass279.11
IUPAC Name1-(2-fluoro-5-methylphenyl)-2-quinolin-2-ylethanone
SMILESCc1ccc(F)c(C(=O)Cc2ccc3ccccc3n2)c1
InChIInChI=1S/C18H14FNO/c1-12-6-9-16(19)15(10-12)18(21)11-14-8-7-13-4-2-3-5-17(13)20-14/h2-10H,11H2,1H3
InChIKeyKOHCOEDKSXAUFZ-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-(quinolin-2-ylmethyl)benzoic acid
CID 81111502
1-(3-fluoro-4-methylphenyl)-2-quinolin-2-ylethanone
CID 28935285
1-(2-methylsulfanylphenyl)-2-quinolin-2-ylethanone
CID 79213616
7-methyl-2-(quinolin-2-ylmethyl)quinoline
CID 146200056
2-(2-chlorophenyl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 62516230
1,2-di(quinolin-2-yl)ethanone
CID 24973307
2-(2,6-dimethylphenyl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 115792624
1-[1-(2-bromo-6-fluorophenyl)-5-methylpyrazol-4-yl]-2-quinolin-2-ylethanone
CID 159946381
1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)ethanone
CID 43337245
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
1-quinolin-2-ylbut-3-en-2-one
CID 103453640
1-(2-fluoro-5-methylphenyl)-2-(4-iodophenyl)ethanone
CID 114974192

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-quinolin-2-ylethanone?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-quinolin-2-ylethanone (CID 62515015) is 1-(2-fluoro-5-methylphenyl)-2-quinolin-2-ylethanone.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-2-quinolin-2-ylethanone?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-2-quinolin-2-ylethanone is Cc1ccc(F)c(C(=O)Cc2ccc3ccccc3n2)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-2-quinolin-2-ylethanone?
The InChIKey is KOHCOEDKSXAUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO/c1-12-6-9-16(19)15(10-12)18(21)11-14-8-7-13-4-2-3-5-17(13)20-14/h2-10H,11H2,1H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-2-quinolin-2-ylethanone?
1-(2-fluoro-5-methylphenyl)-2-quinolin-2-ylethanone has a molecular weight of 279.31 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-2-quinolin-2-ylethanone is sourced from PubChem (CID 62515015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).