1-(3-fluoro-4-methylphenyl)-2-quinolin-2-ylethanone

C18H14FNO — CID 28935285

IUPAC1-(3-fluoro-4-methylphenyl)-2-quinolin-2-ylethanone
SMILESCc1ccc(C(=O)Cc2ccc3ccccc3n2)cc1F
InChIInChI=1S/C18H14FNO/c1-12-6-7-14(10-16(12)19)18(21)11-15-9-8-13-4-2-3-5-17(13)20-15/h2-10H,11H2,1H3
InChIKeyIAHWPOVGDIUJON-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.11
Rot. Bonds3

About 1-(3-fluoro-4-methylphenyl)-2-quinolin-2-ylethanone

1-(3-fluoro-4-methylphenyl)-2-quinolin-2-ylethanone (PubChem CID 28935285) has the molecular formula C18H14FNO and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-2-quinolin-2-ylethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-2-quinolin-2-ylethanone
PubChem CID28935285
Molecular FormulaC18H14FNO
Molecular Weight279.31 g/mol
Exact Mass279.11
IUPAC Name1-(3-fluoro-4-methylphenyl)-2-quinolin-2-ylethanone
SMILESCc1ccc(C(=O)Cc2ccc3ccccc3n2)cc1F
InChIInChI=1S/C18H14FNO/c1-12-6-7-14(10-16(12)19)18(21)11-15-9-8-13-4-2-3-5-17(13)20-15/h2-10H,11H2,1H3
InChIKeyIAHWPOVGDIUJON-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

(3-fluoro-4-methylphenyl)-quinolin-2-ylmethanone
CID 107128303
1-(2-fluoro-5-methylphenyl)-2-quinolin-2-ylethanone
CID 62515015
1-(5-fluoro-3-pyridinyl)-2-quinolin-2-ylethanone
CID 105108919
1-[4-(aminomethyl)phenyl]-2-quinolin-2-ylethanone
CID 116548351
2-(2-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 54919565
1,2-di(quinolin-2-yl)ethanone
CID 24973307
1-(3,4-dimethylphenyl)-2-[6-(4-methylphenyl)quinolin-2-yl]ethanone
CID 158792639
2-(2,3-difluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 62622276
1-(2-methylsulfanylphenyl)-2-quinolin-2-ylethanone
CID 79213616
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
2-quinolin-2-yl-1-[2-(2,4,6-trichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 58156130
2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 102857168

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-quinolin-2-ylethanone?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-2-quinolin-2-ylethanone (CID 28935285) is 1-(3-fluoro-4-methylphenyl)-2-quinolin-2-ylethanone.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-2-quinolin-2-ylethanone?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-2-quinolin-2-ylethanone is Cc1ccc(C(=O)Cc2ccc3ccccc3n2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-2-quinolin-2-ylethanone?
The InChIKey is IAHWPOVGDIUJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO/c1-12-6-7-14(10-16(12)19)18(21)11-15-9-8-13-4-2-3-5-17(13)20-15/h2-10H,11H2,1H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-2-quinolin-2-ylethanone?
1-(3-fluoro-4-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-(3-fluoro-4-methylphenyl)-2-quinolin-2-ylethanone is sourced from PubChem (CID 28935285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).