4-(2-fluoro-4-methylphenyl)-2-oxo-3H-quinoline-3-carbonitrile

C17H11FN2O — CID 146676225

IUPAC4-(2-fluoro-4-methylphenyl)-2-oxo-3H-quinoline-3-carbonitrile
SMILESCc1ccc(C2=c3ccccc3=NC(=O)C2C#N)c(F)c1
InChIInChI=1S/C17H11FN2O/c1-10-6-7-11(14(18)8-10)16-12-4-2-3-5-15(12)20-17(21)13(16)9-19/h2-8,13H,1H3
InChIKeyIUYKRRHMQJSROL-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.63
Rot. Bonds1

About 4-(2-fluoro-4-methylphenyl)-2-oxo-3H-quinoline-3-carbonitrile

4-(2-fluoro-4-methylphenyl)-2-oxo-3H-quinoline-3-carbonitrile (PubChem CID 146676225) has the molecular formula C17H11FN2O and a molecular weight of 278.29 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylphenyl)-2-oxo-3H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(2-fluoro-4-methylphenyl)-2-oxo-3H-quinoline-3-carbonitrile
PubChem CID146676225
Molecular FormulaC17H11FN2O
Molecular Weight278.29 g/mol
Exact Mass278.09
IUPAC Name4-(2-fluoro-4-methylphenyl)-2-oxo-3H-quinoline-3-carbonitrile
SMILESCc1ccc(C2=c3ccccc3=NC(=O)C2C#N)c(F)c1
InChIInChI=1S/C17H11FN2O/c1-10-6-7-11(14(18)8-10)16-12-4-2-3-5-15(12)20-17(21)13(16)9-19/h2-8,13H,1H3
InChIKeyIUYKRRHMQJSROL-UHFFFAOYSA-N
XLogP1.63
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylphenyl)-2-oxo-3H-quinoline-3-carbonitrile?
The IUPAC name of 4-(2-fluoro-4-methylphenyl)-2-oxo-3H-quinoline-3-carbonitrile (CID 146676225) is 4-(2-fluoro-4-methylphenyl)-2-oxo-3H-quinoline-3-carbonitrile.
What is the SMILES notation for 4-(2-fluoro-4-methylphenyl)-2-oxo-3H-quinoline-3-carbonitrile?
The canonical SMILES for 4-(2-fluoro-4-methylphenyl)-2-oxo-3H-quinoline-3-carbonitrile is Cc1ccc(C2=c3ccccc3=NC(=O)C2C#N)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methylphenyl)-2-oxo-3H-quinoline-3-carbonitrile?
The InChIKey is IUYKRRHMQJSROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O/c1-10-6-7-11(14(18)8-10)16-12-4-2-3-5-15(12)20-17(21)13(16)9-19/h2-8,13H,1H3.
What are the key properties of 4-(2-fluoro-4-methylphenyl)-2-oxo-3H-quinoline-3-carbonitrile?
4-(2-fluoro-4-methylphenyl)-2-oxo-3H-quinoline-3-carbonitrile has a molecular weight of 278.29 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylphenyl)-2-oxo-3H-quinoline-3-carbonitrile is sourced from PubChem (CID 146676225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).