2-(3-ethyl-6-fluoro-2-methoxyquinolin-7-yl)propanenitrile

C15H15FN2O — CID 59393260

IUPAC2-(3-ethyl-6-fluoro-2-methoxyquinolin-7-yl)propanenitrile
SMILESCCc1cc2cc(F)c(C(C)C#N)cc2nc1OC
InChIInChI=1S/C15H15FN2O/c1-4-10-5-11-6-13(16)12(9(2)8-17)7-14(11)18-15(10)19-3/h5-7,9H,4H2,1-3H3
InChIKeyZZHPJAMQJNCVOS-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.57
Rot. Bonds3

About 2-(3-ethyl-6-fluoro-2-methoxyquinolin-7-yl)propanenitrile

2-(3-ethyl-6-fluoro-2-methoxyquinolin-7-yl)propanenitrile (PubChem CID 59393260) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(3-ethyl-6-fluoro-2-methoxyquinolin-7-yl)propanenitrile.

Molecular Properties

Compound Name2-(3-ethyl-6-fluoro-2-methoxyquinolin-7-yl)propanenitrile
PubChem CID59393260
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name2-(3-ethyl-6-fluoro-2-methoxyquinolin-7-yl)propanenitrile
SMILESCCc1cc2cc(F)c(C(C)C#N)cc2nc1OC
InChIInChI=1S/C15H15FN2O/c1-4-10-5-11-6-13(16)12(9(2)8-17)7-14(11)18-15(10)19-3/h5-7,9H,4H2,1-3H3
InChIKeyZZHPJAMQJNCVOS-UHFFFAOYSA-N
XLogP3.57
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-6-fluoro-2-methoxyquinolin-7-yl)propanenitrile?
The IUPAC name of 2-(3-ethyl-6-fluoro-2-methoxyquinolin-7-yl)propanenitrile (CID 59393260) is 2-(3-ethyl-6-fluoro-2-methoxyquinolin-7-yl)propanenitrile.
What is the SMILES notation for 2-(3-ethyl-6-fluoro-2-methoxyquinolin-7-yl)propanenitrile?
The canonical SMILES for 2-(3-ethyl-6-fluoro-2-methoxyquinolin-7-yl)propanenitrile is CCc1cc2cc(F)c(C(C)C#N)cc2nc1OC.
What is the InChIKey of 2-(3-ethyl-6-fluoro-2-methoxyquinolin-7-yl)propanenitrile?
The InChIKey is ZZHPJAMQJNCVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-4-10-5-11-6-13(16)12(9(2)8-17)7-14(11)18-15(10)19-3/h5-7,9H,4H2,1-3H3.
What are the key properties of 2-(3-ethyl-6-fluoro-2-methoxyquinolin-7-yl)propanenitrile?
2-(3-ethyl-6-fluoro-2-methoxyquinolin-7-yl)propanenitrile has a molecular weight of 258.30 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-6-fluoro-2-methoxyquinolin-7-yl)propanenitrile is sourced from PubChem (CID 59393260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).