2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-pyridin-3-ylpropanenitrile

C20H19N3O — CID 59393271

IUPAC2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-pyridin-3-ylpropanenitrile
SMILESCCc1cc2ccc(C(C)(C#N)Cc3cccnc3)cc2[nH]c1=O
InChIInChI=1S/C20H19N3O/c1-3-15-9-16-6-7-17(10-18(16)23-19(15)24)20(2,13-21)11-14-5-4-8-22-12-14/h4-10,12H,3,11H2,1-2H3,(H,23,24)
InChIKeyWJROOIZWVRJCGE-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.51
Rot. Bonds4

About 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-pyridin-3-ylpropanenitrile

2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-pyridin-3-ylpropanenitrile (PubChem CID 59393271) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-pyridin-3-ylpropanenitrile.

Molecular Properties

Compound Name2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-pyridin-3-ylpropanenitrile
PubChem CID59393271
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-pyridin-3-ylpropanenitrile
SMILESCCc1cc2ccc(C(C)(C#N)Cc3cccnc3)cc2[nH]c1=O
InChIInChI=1S/C20H19N3O/c1-3-15-9-16-6-7-17(10-18(16)23-19(15)24)20(2,13-21)11-14-5-4-8-22-12-14/h4-10,12H,3,11H2,1-2H3,(H,23,24)
InChIKeyWJROOIZWVRJCGE-UHFFFAOYSA-N
XLogP3.51
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-pyridin-3-ylpropanenitrile?
The IUPAC name of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-pyridin-3-ylpropanenitrile (CID 59393271) is 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-pyridin-3-ylpropanenitrile.
What is the SMILES notation for 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-pyridin-3-ylpropanenitrile?
The canonical SMILES for 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-pyridin-3-ylpropanenitrile is CCc1cc2ccc(C(C)(C#N)Cc3cccnc3)cc2[nH]c1=O.
What is the InChIKey of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-pyridin-3-ylpropanenitrile?
The InChIKey is WJROOIZWVRJCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-3-15-9-16-6-7-17(10-18(16)23-19(15)24)20(2,13-21)11-14-5-4-8-22-12-14/h4-10,12H,3,11H2,1-2H3,(H,23,24).
What are the key properties of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-pyridin-3-ylpropanenitrile?
2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-pyridin-3-ylpropanenitrile has a molecular weight of 317.39 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-pyridin-3-ylpropanenitrile is sourced from PubChem (CID 59393271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).