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

C23H19FN2O — CID 78429684

IUPAC4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile
SMILESCC1=NC2=C(C(=O)CC(c3ccccc3)C2)C(c2ccc(F)cc2)C1C#N
InChIInChI=1S/C23H19FN2O/c1-14-19(13-25)22(16-7-9-18(24)10-8-16)23-20(26-14)11-17(12-21(23)27)15-5-3-2-4-6-15/h2-10,17,19,22H,11-12H2,1H3
InChIKeyYPETYCHKWZLKPE-UHFFFAOYSA-N
MW358.42 g/mol
LogP4.92
Rot. Bonds2

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

4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile (PubChem CID 78429684) has the molecular formula C23H19FN2O and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile
PubChem CID78429684
Molecular FormulaC23H19FN2O
Molecular Weight358.42 g/mol
Exact Mass358.15
IUPAC Name4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile
SMILESCC1=NC2=C(C(=O)CC(c3ccccc3)C2)C(c2ccc(F)cc2)C1C#N
InChIInChI=1S/C23H19FN2O/c1-14-19(13-25)22(16-7-9-18(24)10-8-16)23-20(26-14)11-17(12-21(23)27)15-5-3-2-4-6-15/h2-10,17,19,22H,11-12H2,1H3
InChIKeyYPETYCHKWZLKPE-UHFFFAOYSA-N
XLogP4.92
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile with MolForge

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Related Compounds

3-(3-fluorophenyl)-2-methyl-2-(6-oxo-7,8,9,10-tetrahydro-6aH-phenanthridin-3-yl)propanenitrile
CID 137554073
(2R)-3-(3-fluorophenyl)-2-methyl-2-(6-oxo-7,8,9,10-tetrahydro-6aH-phenanthridin-3-yl)propanenitrile
CID 137554074
(2S)-3-(3-fluorophenyl)-2-methyl-2-(6-oxo-7,8,9,10-tetrahydro-6aH-phenanthridin-3-yl)propanenitrile
CID 137554075
4-(3-Fluorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 2864889
4-(4-Fluorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
CID 2864923
2-Methyl-5-oxo-4,7-diphenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CID 2863549
3-(1,8-Dioxo-2,3,4,5,6,7,8a,9-octahydroacridin-9-yl)benzonitrile
CID 53933047
2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile
CID 74686932
4-(2-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile
CID 74686978
4-(4-Fluorophenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
CID 74687035
3,3,6,6-Tetramethyl-9-[4-(trifluoromethyl)phenyl]-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
CID 78429564
4-(3-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile
CID 78431387

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile (CID 78429684) is 4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile is CC1=NC2=C(C(=O)CC(c3ccccc3)C2)C(c2ccc(F)cc2)C1C#N.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile?
The InChIKey is YPETYCHKWZLKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O/c1-14-19(13-25)22(16-7-9-18(24)10-8-16)23-20(26-14)11-17(12-21(23)27)15-5-3-2-4-6-15/h2-10,17,19,22H,11-12H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile?
4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile has a molecular weight of 358.42 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile is sourced from PubChem (CID 78429684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).