2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[3-(methylamino)phenyl]propanenitrile

C22H23N3O — CID 59392989

IUPAC2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[3-(methylamino)phenyl]propanenitrile
SMILESCCc1cc2ccc(C(C)(C#N)Cc3cccc(NC)c3)cc2[nH]c1=O
InChIInChI=1S/C22H23N3O/c1-4-16-11-17-8-9-18(12-20(17)25-21(16)26)22(2,14-23)13-15-6-5-7-19(10-15)24-3/h5-12,24H,4,13H2,1-3H3,(H,25,26)
InChIKeyYUHFUSCFWXTWAE-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.16
Rot. Bonds5

About 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[3-(methylamino)phenyl]propanenitrile

2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[3-(methylamino)phenyl]propanenitrile (PubChem CID 59392989) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[3-(methylamino)phenyl]propanenitrile.

Molecular Properties

Compound Name2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[3-(methylamino)phenyl]propanenitrile
PubChem CID59392989
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[3-(methylamino)phenyl]propanenitrile
SMILESCCc1cc2ccc(C(C)(C#N)Cc3cccc(NC)c3)cc2[nH]c1=O
InChIInChI=1S/C22H23N3O/c1-4-16-11-17-8-9-18(12-20(17)25-21(16)26)22(2,14-23)13-15-6-5-7-19(10-15)24-3/h5-12,24H,4,13H2,1-3H3,(H,25,26)
InChIKeyYUHFUSCFWXTWAE-UHFFFAOYSA-N
XLogP4.16
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
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-[3-(methylamino)phenyl]propanenitrile?
The IUPAC name of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[3-(methylamino)phenyl]propanenitrile (CID 59392989) is 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[3-(methylamino)phenyl]propanenitrile.
What is the SMILES notation for 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[3-(methylamino)phenyl]propanenitrile?
The canonical SMILES for 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[3-(methylamino)phenyl]propanenitrile is CCc1cc2ccc(C(C)(C#N)Cc3cccc(NC)c3)cc2[nH]c1=O.
What is the InChIKey of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[3-(methylamino)phenyl]propanenitrile?
The InChIKey is YUHFUSCFWXTWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-4-16-11-17-8-9-18(12-20(17)25-21(16)26)22(2,14-23)13-15-6-5-7-19(10-15)24-3/h5-12,24H,4,13H2,1-3H3,(H,25,26).
What are the key properties of 2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[3-(methylamino)phenyl]propanenitrile?
2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methyl-3-[3-(methylamino)phenyl]propanenitrile has a molecular weight of 345.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 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-[3-(methylamino)phenyl]propanenitrile is sourced from PubChem (CID 59392989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).