2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(2-fluoro-5-methoxyphenyl)-2-methylpropanenitrile

C23H23FN2O2 — CID 59393248

IUPAC2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(2-fluoro-5-methoxyphenyl)-2-methylpropanenitrile
SMILESCCc1cc2ccc(C(C)(C#N)Cc3cc(OC)ccc3F)cc2nc1OC
InChIInChI=1S/C23H23FN2O2/c1-5-15-10-16-6-7-18(12-21(16)26-22(15)28-4)23(2,14-25)13-17-11-19(27-3)8-9-20(17)24/h6-12H,5,13H2,1-4H3
InChIKeyVZZJSFQRZUEHLY-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.98
Rot. Bonds6

About 2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(2-fluoro-5-methoxyphenyl)-2-methylpropanenitrile

2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(2-fluoro-5-methoxyphenyl)-2-methylpropanenitrile (PubChem CID 59393248) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(2-fluoro-5-methoxyphenyl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(2-fluoro-5-methoxyphenyl)-2-methylpropanenitrile
PubChem CID59393248
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(2-fluoro-5-methoxyphenyl)-2-methylpropanenitrile
SMILESCCc1cc2ccc(C(C)(C#N)Cc3cc(OC)ccc3F)cc2nc1OC
InChIInChI=1S/C23H23FN2O2/c1-5-15-10-16-6-7-18(12-21(16)26-22(15)28-4)23(2,14-25)13-17-11-19(27-3)8-9-20(17)24/h6-12H,5,13H2,1-4H3
InChIKeyVZZJSFQRZUEHLY-UHFFFAOYSA-N
XLogP4.98
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(2-fluoro-5-methoxyphenyl)-2-methylpropanenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(2-fluoro-5-methoxyphenyl)-2-methylpropanenitrile?
The IUPAC name of 2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(2-fluoro-5-methoxyphenyl)-2-methylpropanenitrile (CID 59393248) is 2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(2-fluoro-5-methoxyphenyl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(2-fluoro-5-methoxyphenyl)-2-methylpropanenitrile?
The canonical SMILES for 2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(2-fluoro-5-methoxyphenyl)-2-methylpropanenitrile is CCc1cc2ccc(C(C)(C#N)Cc3cc(OC)ccc3F)cc2nc1OC.
What is the InChIKey of 2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(2-fluoro-5-methoxyphenyl)-2-methylpropanenitrile?
The InChIKey is VZZJSFQRZUEHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c1-5-15-10-16-6-7-18(12-21(16)26-22(15)28-4)23(2,14-25)13-17-11-19(27-3)8-9-20(17)24/h6-12H,5,13H2,1-4H3.
What are the key properties of 2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(2-fluoro-5-methoxyphenyl)-2-methylpropanenitrile?
2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(2-fluoro-5-methoxyphenyl)-2-methylpropanenitrile has a molecular weight of 378.45 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 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-(2-fluoro-5-methoxyphenyl)-2-methylpropanenitrile is sourced from PubChem (CID 59393248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).