3-(2,5-dimethylphenyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile

C23H24N2O — CID 59393144

IUPAC3-(2,5-dimethylphenyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile
SMILESCCc1cc2ccc(C(C)(C#N)Cc3cc(C)ccc3C)cc2[nH]c1=O
InChIInChI=1S/C23H24N2O/c1-5-17-11-18-8-9-20(12-21(18)25-22(17)26)23(4,14-24)13-19-10-15(2)6-7-16(19)3/h6-12H,5,13H2,1-4H3,(H,25,26)
InChIKeyPYKHIMNCLXDLCK-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.73
Rot. Bonds4

About 3-(2,5-dimethylphenyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile

3-(2,5-dimethylphenyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile (PubChem CID 59393144) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile
PubChem CID59393144
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name3-(2,5-dimethylphenyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile
SMILESCCc1cc2ccc(C(C)(C#N)Cc3cc(C)ccc3C)cc2[nH]c1=O
InChIInChI=1S/C23H24N2O/c1-5-17-11-18-8-9-20(12-21(18)25-22(17)26)23(4,14-24)13-19-10-15(2)6-7-16(19)3/h6-12H,5,13H2,1-4H3,(H,25,26)
InChIKeyPYKHIMNCLXDLCK-UHFFFAOYSA-N
XLogP4.73
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile?
The IUPAC name of 3-(2,5-dimethylphenyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile (CID 59393144) is 3-(2,5-dimethylphenyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile?
The canonical SMILES for 3-(2,5-dimethylphenyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile is CCc1cc2ccc(C(C)(C#N)Cc3cc(C)ccc3C)cc2[nH]c1=O.
What is the InChIKey of 3-(2,5-dimethylphenyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile?
The InChIKey is PYKHIMNCLXDLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-5-17-11-18-8-9-20(12-21(18)25-22(17)26)23(4,14-24)13-19-10-15(2)6-7-16(19)3/h6-12H,5,13H2,1-4H3,(H,25,26).
What are the key properties of 3-(2,5-dimethylphenyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile?
3-(2,5-dimethylphenyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile has a molecular weight of 344.46 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile is sourced from PubChem (CID 59393144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).