2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile

C22H22N2O2 — CID 59392990

IUPAC2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile
SMILESCCc1cc2ccc(C(C)(C#N)Cc3cccc(O)c3)cc2nc1OC
InChIInChI=1S/C22H22N2O2/c1-4-16-11-17-8-9-18(12-20(17)24-21(16)26-3)22(2,14-23)13-15-6-5-7-19(25)10-15/h5-12,25H,4,13H2,1-3H3
InChIKeyAABOUMGVULKIBC-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.54
Rot. Bonds5

About 2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile

2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile (PubChem CID 59392990) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile
PubChem CID59392990
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile
SMILESCCc1cc2ccc(C(C)(C#N)Cc3cccc(O)c3)cc2nc1OC
InChIInChI=1S/C22H22N2O2/c1-4-16-11-17-8-9-18(12-20(17)24-21(16)26-3)22(2,14-23)13-15-6-5-7-19(25)10-15/h5-12,25H,4,13H2,1-3H3
InChIKeyAABOUMGVULKIBC-UHFFFAOYSA-N
XLogP4.54
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile
CID 59393114
3-bromo-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile
CID 59393221
3-(1,3-dioxoisoindol-2-yl)-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile
CID 59393229
5-[2-cyano-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2-(3-morpholin-4-ylpropoxy)benzonitrile
CID 59393342
(5Z,7E)-2-(3-ethyl-2-methoxyquinolin-7-yl)-8-iodo-2-methyl-4-methylidenenona-5,7-dienenitrile
CID 145469826
2-(3-ethyl-2-methoxyquinolin-7-yl)acetonitrile;methane
CID 164511422
2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-3-[3-(methoxymethyl)phenyl]-2-methylpropanenitrile
CID 59393308
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-[3-(methylamino)phenyl]propanenitrile
CID 59392989
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)-2-methyl-3-pyridin-3-ylpropanenitrile
CID 59393271
3-[4,6-bis(dimethylamino)pyrimidin-2-yl]-2-(3-ethyl-2-phosphanylquinolin-7-yl)-2-methylpropanenitrile
CID 70290227

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile?
The IUPAC name of 2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile (CID 59392990) is 2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile?
The canonical SMILES for 2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile is CCc1cc2ccc(C(C)(C#N)Cc3cccc(O)c3)cc2nc1OC.
What is the InChIKey of 2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile?
The InChIKey is AABOUMGVULKIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-4-16-11-17-8-9-18(12-20(17)24-21(16)26-3)22(2,14-23)13-15-6-5-7-19(25)10-15/h5-12,25H,4,13H2,1-3H3.
What are the key properties of 2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile?
2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile has a molecular weight of 346.43 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile is sourced from PubChem (CID 59392990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).