4-(4-fluoro-6-methoxyquinolin-2-yl)benzonitrile

C17H11FN2O — CID 66980065

IUPAC4-(4-fluoro-6-methoxyquinolin-2-yl)benzonitrile
SMILESCOc1ccc2nc(-c3ccc(C#N)cc3)cc(F)c2c1
InChIInChI=1S/C17H11FN2O/c1-21-13-6-7-16-14(8-13)15(18)9-17(20-16)12-4-2-11(10-19)3-5-12/h2-9H,1H3
InChIKeyMXXFQBFSZJETTI-UHFFFAOYSA-N
MW278.29 g/mol
LogP3.92
Rot. Bonds2

About 4-(4-fluoro-6-methoxyquinolin-2-yl)benzonitrile

4-(4-fluoro-6-methoxyquinolin-2-yl)benzonitrile (PubChem CID 66980065) has the molecular formula C17H11FN2O and a molecular weight of 278.29 g/mol. Its IUPAC name is 4-(4-fluoro-6-methoxyquinolin-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(4-fluoro-6-methoxyquinolin-2-yl)benzonitrile
PubChem CID66980065
Molecular FormulaC17H11FN2O
Molecular Weight278.29 g/mol
Exact Mass278.09
IUPAC Name4-(4-fluoro-6-methoxyquinolin-2-yl)benzonitrile
SMILESCOc1ccc2nc(-c3ccc(C#N)cc3)cc(F)c2c1
InChIInChI=1S/C17H11FN2O/c1-21-13-6-7-16-14(8-13)15(18)9-17(20-16)12-4-2-11(10-19)3-5-12/h2-9H,1H3
InChIKeyMXXFQBFSZJETTI-UHFFFAOYSA-N
XLogP3.92
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluoro-6-methoxyquinolin-2-yl)benzonitrile 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 4-(4-fluoro-6-methoxyquinolin-2-yl)benzonitrile?
The IUPAC name of 4-(4-fluoro-6-methoxyquinolin-2-yl)benzonitrile (CID 66980065) is 4-(4-fluoro-6-methoxyquinolin-2-yl)benzonitrile.
What is the SMILES notation for 4-(4-fluoro-6-methoxyquinolin-2-yl)benzonitrile?
The canonical SMILES for 4-(4-fluoro-6-methoxyquinolin-2-yl)benzonitrile is COc1ccc2nc(-c3ccc(C#N)cc3)cc(F)c2c1.
What is the InChIKey of 4-(4-fluoro-6-methoxyquinolin-2-yl)benzonitrile?
The InChIKey is MXXFQBFSZJETTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O/c1-21-13-6-7-16-14(8-13)15(18)9-17(20-16)12-4-2-11(10-19)3-5-12/h2-9H,1H3.
What are the key properties of 4-(4-fluoro-6-methoxyquinolin-2-yl)benzonitrile?
4-(4-fluoro-6-methoxyquinolin-2-yl)benzonitrile has a molecular weight of 278.29 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-6-methoxyquinolin-2-yl)benzonitrile is sourced from PubChem (CID 66980065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).