2-benzyl-3-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propanenitrile

C24H24N2O — CID 59393360

IUPAC2-benzyl-3-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propanenitrile
SMILESCCc1cc2ccc(C(C#N)(Cc3ccccc3)CC3CC3)cc2[nH]c1=O
InChIInChI=1S/C24H24N2O/c1-2-19-12-20-10-11-21(13-22(20)26-23(19)27)24(16-25,15-18-8-9-18)14-17-6-4-3-5-7-17/h3-7,10-13,18H,2,8-9,14-15H2,1H3,(H,26,27)
InChIKeyAFMRUIAYSXKPQW-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.89
Rot. Bonds6

About 2-benzyl-3-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propanenitrile

2-benzyl-3-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propanenitrile (PubChem CID 59393360) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-benzyl-3-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propanenitrile.

Molecular Properties

Compound Name2-benzyl-3-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propanenitrile
PubChem CID59393360
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name2-benzyl-3-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propanenitrile
SMILESCCc1cc2ccc(C(C#N)(Cc3ccccc3)CC3CC3)cc2[nH]c1=O
InChIInChI=1S/C24H24N2O/c1-2-19-12-20-10-11-21(13-22(20)26-23(19)27)24(16-25,15-18-8-9-18)14-17-6-4-3-5-7-17/h3-7,10-13,18H,2,8-9,14-15H2,1H3,(H,26,27)
InChIKeyAFMRUIAYSXKPQW-UHFFFAOYSA-N
XLogP4.89
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-benzyl-3-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2,3-diphenylpropanenitrile
CID 59393258
2-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-4-phenoxybutanenitrile
CID 59393498
3-[4-(1,1-difluoroethyl)phenyl]-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile
CID 145469749
2-[(4,6-dimethoxypyrimidin-2-yl)methyl]-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)butanenitrile
CID 59393295
2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-pyridin-3-ylpropanenitrile
CID 59393271
3-(3-acetylphenyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile;ethane
CID 145469808
2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-3-[3-(methoxymethyl)phenyl]-2-methylpropanenitrile
CID 59393308
2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[3-(methylamino)phenyl]propanenitrile
CID 59392989
(2S)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-4-phenoxybutanenitrile
CID 59393292
2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[6-[methyl(2-phenylethyl)amino]-2-pyridinyl]propanenitrile
CID 59393430
3-(3,4-difluorophenyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile
CID 59392991
methyl 3-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]benzoate
CID 59393162

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propanenitrile?
The IUPAC name of 2-benzyl-3-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propanenitrile (CID 59393360) is 2-benzyl-3-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propanenitrile.
What is the SMILES notation for 2-benzyl-3-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propanenitrile?
The canonical SMILES for 2-benzyl-3-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propanenitrile is CCc1cc2ccc(C(C#N)(Cc3ccccc3)CC3CC3)cc2[nH]c1=O.
What is the InChIKey of 2-benzyl-3-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propanenitrile?
The InChIKey is AFMRUIAYSXKPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-2-19-12-20-10-11-21(13-22(20)26-23(19)27)24(16-25,15-18-8-9-18)14-17-6-4-3-5-7-17/h3-7,10-13,18H,2,8-9,14-15H2,1H3,(H,26,27).
What are the key properties of 2-benzyl-3-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propanenitrile?
2-benzyl-3-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propanenitrile has a molecular weight of 356.47 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-cyclopropyl-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propanenitrile is sourced from PubChem (CID 59393360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).