4-(4-fluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

C17H15FN2O — CID 118589308

IUPAC4-(4-fluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SMILESCC1CCc2[nH]c(=O)c(C#N)c(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C17H15FN2O/c1-10-2-7-15-13(8-10)16(14(9-19)17(21)20-15)11-3-5-12(18)6-4-11/h3-6,10H,2,7-8H2,1H3,(H,20,21)
InChIKeyRLCNIPAILUCSEP-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.18
Rot. Bonds1

About 4-(4-fluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

4-(4-fluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile (PubChem CID 118589308) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
PubChem CID118589308
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name4-(4-fluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SMILESCC1CCc2[nH]c(=O)c(C#N)c(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C17H15FN2O/c1-10-2-7-15-13(8-10)16(14(9-19)17(21)20-15)11-3-5-12(18)6-4-11/h3-6,10H,2,7-8H2,1H3,(H,20,21)
InChIKeyRLCNIPAILUCSEP-UHFFFAOYSA-N
XLogP3.18
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile (CID 118589308) is 4-(4-fluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile is CC1CCc2[nH]c(=O)c(C#N)c(-c3ccc(F)cc3)c2C1.
What is the InChIKey of 4-(4-fluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The InChIKey is RLCNIPAILUCSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-10-2-7-15-13(8-10)16(14(9-19)17(21)20-15)11-3-5-12(18)6-4-11/h3-6,10H,2,7-8H2,1H3,(H,20,21).
What are the key properties of 4-(4-fluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
4-(4-fluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile has a molecular weight of 282.32 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 118589308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).