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

C23H19FN2O — CID 2864889

IUPAC4-(3-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SMILESCC1=C(C#N)C(c2cccc(F)c2)C2=C(CC(c3ccccc3)CC2=O)N1
InChIInChI=1S/C23H19FN2O/c1-14-19(13-25)22(16-8-5-9-18(24)10-16)23-20(26-14)11-17(12-21(23)27)15-6-3-2-4-7-15/h2-10,17,22,26H,11-12H2,1H3
InChIKeyALMDTKBMNJNMJU-UHFFFAOYSA-N
MW358.42 g/mol
LogP4.71
Rot. Bonds2

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

4-(3-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile (PubChem CID 2864889) has the molecular formula C23H19FN2O and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
PubChem CID2864889
Molecular FormulaC23H19FN2O
Molecular Weight358.42 g/mol
Exact Mass358.15
IUPAC Name4-(3-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
SMILESCC1=C(C#N)C(c2cccc(F)c2)C2=C(CC(c3ccccc3)CC2=O)N1
InChIInChI=1S/C23H19FN2O/c1-14-19(13-25)22(16-8-5-9-18(24)10-16)23-20(26-14)11-17(12-21(23)27)15-6-3-2-4-7-15/h2-10,17,22,26H,11-12H2,1H3
InChIKeyALMDTKBMNJNMJU-UHFFFAOYSA-N
XLogP4.71
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The IUPAC name of 4-(3-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile (CID 2864889) is 4-(3-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
What is the SMILES notation for 4-(3-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The canonical SMILES for 4-(3-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile is CC1=C(C#N)C(c2cccc(F)c2)C2=C(CC(c3ccccc3)CC2=O)N1.
What is the InChIKey of 4-(3-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The InChIKey is ALMDTKBMNJNMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O/c1-14-19(13-25)22(16-8-5-9-18(24)10-16)23-20(26-14)11-17(12-21(23)27)15-6-3-2-4-7-15/h2-10,17,22,26H,11-12H2,1H3.
What are the key properties of 4-(3-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
4-(3-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile has a molecular weight of 358.42 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile is sourced from PubChem (CID 2864889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).