2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(3,4,5-trimethoxyphenyl)propanenitrile

C24H26N2O4 — CID 59393338

IUPAC2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(3,4,5-trimethoxyphenyl)propanenitrile
SMILESCCc1cc2ccc(C(C)(C#N)Cc3cc(OC)c(OC)c(OC)c3)cc2[nH]c1=O
InChIInChI=1S/C24H26N2O4/c1-6-16-11-17-7-8-18(12-19(17)26-23(16)27)24(2,14-25)13-15-9-20(28-3)22(30-5)21(10-15)29-4/h7-12H,6,13H2,1-5H3,(H,26,27)
InChIKeyPJZJJGYMBPPLSR-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.14
Rot. Bonds7

About 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(3,4,5-trimethoxyphenyl)propanenitrile

2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(3,4,5-trimethoxyphenyl)propanenitrile (PubChem CID 59393338) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(3,4,5-trimethoxyphenyl)propanenitrile.

Molecular Properties

Compound Name2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(3,4,5-trimethoxyphenyl)propanenitrile
PubChem CID59393338
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(3,4,5-trimethoxyphenyl)propanenitrile
SMILESCCc1cc2ccc(C(C)(C#N)Cc3cc(OC)c(OC)c(OC)c3)cc2[nH]c1=O
InChIInChI=1S/C24H26N2O4/c1-6-16-11-17-7-8-18(12-19(17)26-23(16)27)24(2,14-25)13-15-9-20(28-3)22(30-5)21(10-15)29-4/h7-12H,6,13H2,1-5H3,(H,26,27)
InChIKeyPJZJJGYMBPPLSR-UHFFFAOYSA-N
XLogP4.14
TPSA84.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(3,4,5-trimethoxyphenyl)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)-3-(2-methoxy-6-methyl-4-pyridinyl)-2-methylpropanenitrile
CID 70290208
3-(2-chloro-6-methoxy-4-pyridinyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile
CID 59393526
4-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-6-methoxypyridine-2-carbonitrile
CID 59393310
3-[4-(1,1-difluoroethyl)phenyl]-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile
CID 145469749
2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-3-[3-(methoxymethyl)phenyl]-2-methylpropanenitrile
CID 59393308
3-(3,4-difluorophenyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile
CID 59392991
2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpropanenitrile
CID 59393456
2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[3-(methylamino)phenyl]propanenitrile
CID 59392989
methyl 3-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]benzoate
CID 59393162
2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-pyridin-3-ylpropanenitrile
CID 59393271
2-[2-cyano-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)propyl]-6-methoxypyrimidine-4-carbonitrile
CID 59393007
3-(2,5-dimethylphenyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile
CID 59393144

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(3,4,5-trimethoxyphenyl)propanenitrile?
The IUPAC name of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(3,4,5-trimethoxyphenyl)propanenitrile (CID 59393338) is 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(3,4,5-trimethoxyphenyl)propanenitrile.
What is the SMILES notation for 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(3,4,5-trimethoxyphenyl)propanenitrile?
The canonical SMILES for 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(3,4,5-trimethoxyphenyl)propanenitrile is CCc1cc2ccc(C(C)(C#N)Cc3cc(OC)c(OC)c(OC)c3)cc2[nH]c1=O.
What is the InChIKey of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(3,4,5-trimethoxyphenyl)propanenitrile?
The InChIKey is PJZJJGYMBPPLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-6-16-11-17-7-8-18(12-19(17)26-23(16)27)24(2,14-25)13-15-9-20(28-3)22(30-5)21(10-15)29-4/h7-12H,6,13H2,1-5H3,(H,26,27).
What are the key properties of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(3,4,5-trimethoxyphenyl)propanenitrile?
2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(3,4,5-trimethoxyphenyl)propanenitrile has a molecular weight of 406.48 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-(3,4,5-trimethoxyphenyl)propanenitrile is sourced from PubChem (CID 59393338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).