2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2,3-diphenylpropanenitrile

C26H22N2O — CID 59393258

IUPAC2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2,3-diphenylpropanenitrile
SMILESCCc1cc2ccc(C(C#N)(Cc3ccccc3)c3ccccc3)cc2[nH]c1=O
InChIInChI=1S/C26H22N2O/c1-2-20-15-21-13-14-23(16-24(21)28-25(20)29)26(18-27,22-11-7-4-8-12-22)17-19-9-5-3-6-10-19/h3-16H,2,17H2,1H3,(H,28,29)
InChIKeyFEVFYAUYCVBVFT-UHFFFAOYSA-N
MW378.48 g/mol
LogP5.14
Rot. Bonds5

About 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2,3-diphenylpropanenitrile

2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2,3-diphenylpropanenitrile (PubChem CID 59393258) has the molecular formula C26H22N2O and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2,3-diphenylpropanenitrile.

Molecular Properties

Compound Name2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2,3-diphenylpropanenitrile
PubChem CID59393258
Molecular FormulaC26H22N2O
Molecular Weight378.48 g/mol
Exact Mass378.17
IUPAC Name2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2,3-diphenylpropanenitrile
SMILESCCc1cc2ccc(C(C#N)(Cc3ccccc3)c3ccccc3)cc2[nH]c1=O
InChIInChI=1S/C26H22N2O/c1-2-20-15-21-13-14-23(16-24(21)28-25(20)29)26(18-27,22-11-7-4-8-12-22)17-19-9-5-3-6-10-19/h3-16H,2,17H2,1H3,(H,28,29)
InChIKeyFEVFYAUYCVBVFT-UHFFFAOYSA-N
XLogP5.14
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2,3-diphenylpropanenitrile?
The IUPAC name of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2,3-diphenylpropanenitrile (CID 59393258) is 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2,3-diphenylpropanenitrile.
What is the SMILES notation for 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2,3-diphenylpropanenitrile?
The canonical SMILES for 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2,3-diphenylpropanenitrile is CCc1cc2ccc(C(C#N)(Cc3ccccc3)c3ccccc3)cc2[nH]c1=O.
What is the InChIKey of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2,3-diphenylpropanenitrile?
The InChIKey is FEVFYAUYCVBVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O/c1-2-20-15-21-13-14-23(16-24(21)28-25(20)29)26(18-27,22-11-7-4-8-12-22)17-19-9-5-3-6-10-19/h3-16H,2,17H2,1H3,(H,28,29).
What are the key properties of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2,3-diphenylpropanenitrile?
2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2,3-diphenylpropanenitrile has a molecular weight of 378.48 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2,3-diphenylpropanenitrile is sourced from PubChem (CID 59393258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).