2-(5-fluoro-2-pyridinyl)-3-(6-methoxyquinolin-2-yl)-3-oxopropanenitrile

C18H12FN3O2 — CID 75397929

IUPAC2-(5-fluoro-2-pyridinyl)-3-(6-methoxyquinolin-2-yl)-3-oxopropanenitrile
SMILESCOc1ccc2nc(C(=O)C(C#N)c3ccc(F)cn3)ccc2c1
InChIInChI=1S/C18H12FN3O2/c1-24-13-4-7-15-11(8-13)2-5-17(22-15)18(23)14(9-20)16-6-3-12(19)10-21-16/h2-8,10,14H,1H3
InChIKeyXGJCUINRAHMRGW-UHFFFAOYSA-N
MW321.31 g/mol
LogP3.27
Rot. Bonds4

About 2-(5-fluoro-2-pyridinyl)-3-(6-methoxyquinolin-2-yl)-3-oxopropanenitrile

2-(5-fluoro-2-pyridinyl)-3-(6-methoxyquinolin-2-yl)-3-oxopropanenitrile (PubChem CID 75397929) has the molecular formula C18H12FN3O2 and a molecular weight of 321.31 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-3-(6-methoxyquinolin-2-yl)-3-oxopropanenitrile.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-3-(6-methoxyquinolin-2-yl)-3-oxopropanenitrile
PubChem CID75397929
Molecular FormulaC18H12FN3O2
Molecular Weight321.31 g/mol
Exact Mass321.09
IUPAC Name2-(5-fluoro-2-pyridinyl)-3-(6-methoxyquinolin-2-yl)-3-oxopropanenitrile
SMILESCOc1ccc2nc(C(=O)C(C#N)c3ccc(F)cn3)ccc2c1
InChIInChI=1S/C18H12FN3O2/c1-24-13-4-7-15-11(8-13)2-5-17(22-15)18(23)14(9-20)16-6-3-12(19)10-21-16/h2-8,10,14H,1H3
InChIKeyXGJCUINRAHMRGW-UHFFFAOYSA-N
XLogP3.27
TPSA75.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5-fluoro-2-pyridinyl)-3-(6-methoxyquinolin-2-yl)-3-oxopropanenitrile 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-(5-fluoro-2-pyridinyl)-3-(6-methoxyquinolin-2-yl)-3-oxopropanenitrile?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-3-(6-methoxyquinolin-2-yl)-3-oxopropanenitrile (CID 75397929) is 2-(5-fluoro-2-pyridinyl)-3-(6-methoxyquinolin-2-yl)-3-oxopropanenitrile.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-3-(6-methoxyquinolin-2-yl)-3-oxopropanenitrile?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-3-(6-methoxyquinolin-2-yl)-3-oxopropanenitrile is COc1ccc2nc(C(=O)C(C#N)c3ccc(F)cn3)ccc2c1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-3-(6-methoxyquinolin-2-yl)-3-oxopropanenitrile?
The InChIKey is XGJCUINRAHMRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2/c1-24-13-4-7-15-11(8-13)2-5-17(22-15)18(23)14(9-20)16-6-3-12(19)10-21-16/h2-8,10,14H,1H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-3-(6-methoxyquinolin-2-yl)-3-oxopropanenitrile?
2-(5-fluoro-2-pyridinyl)-3-(6-methoxyquinolin-2-yl)-3-oxopropanenitrile has a molecular weight of 321.31 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-3-(6-methoxyquinolin-2-yl)-3-oxopropanenitrile is sourced from PubChem (CID 75397929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).