2-fluoro-5-(2-methoxyquinolin-3-yl)benzonitrile

C17H11FN2O — CID 155910711

IUPAC2-fluoro-5-(2-methoxyquinolin-3-yl)benzonitrile
SMILESCOc1nc2ccccc2cc1-c1ccc(F)c(C#N)c1
InChIInChI=1S/C17H11FN2O/c1-21-17-14(9-12-4-2-3-5-16(12)20-17)11-6-7-15(18)13(8-11)10-19/h2-9H,1H3
InChIKeyMKGVMYPIBYSTTO-UHFFFAOYSA-N
MW278.29 g/mol
LogP3.92
Rot. Bonds2

About 2-fluoro-5-(2-methoxyquinolin-3-yl)benzonitrile

2-fluoro-5-(2-methoxyquinolin-3-yl)benzonitrile (PubChem CID 155910711) has the molecular formula C17H11FN2O and a molecular weight of 278.29 g/mol. Its IUPAC name is 2-fluoro-5-(2-methoxyquinolin-3-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-(2-methoxyquinolin-3-yl)benzonitrile
PubChem CID155910711
Molecular FormulaC17H11FN2O
Molecular Weight278.29 g/mol
Exact Mass278.09
IUPAC Name2-fluoro-5-(2-methoxyquinolin-3-yl)benzonitrile
SMILESCOc1nc2ccccc2cc1-c1ccc(F)c(C#N)c1
InChIInChI=1S/C17H11FN2O/c1-21-17-14(9-12-4-2-3-5-16(12)20-17)11-6-7-15(18)13(8-11)10-19/h2-9H,1H3
InChIKeyMKGVMYPIBYSTTO-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

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Related Compounds

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CID 155909889
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2-methoxy-3-(2H-triazolo[4,5-b]pyridin-6-yl)quinoline
CID 155911258
3-(3-cyano-4-fluorophenyl)-5,6-diphenylpyrazine-2-carbonitrile
CID 167011867
2-aminooxyquinoline-3-carbonitrile
CID 79428032
2-fluoro-5-(4-methylphenyl)benzonitrile
CID 164513731
5-(5-amino-1,2-dimethylimidazol-4-yl)-2-fluorobenzonitrile
CID 107936587
3-(2-methoxyquinolin-3-yl)-N-methylpyrazin-2-amine
CID 77091100
3-(1H-indol-2-yl)-2-methoxyquinoline
CID 86101824
3-(2-methoxyquinolin-3-yl)-6-methylpyridin-2-amine
CID 155911267
5-(2-methoxyquinolin-3-yl)-2,4-dimethyl-1,3-thiazole
CID 155914367

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-methoxyquinolin-3-yl)benzonitrile?
The IUPAC name of 2-fluoro-5-(2-methoxyquinolin-3-yl)benzonitrile (CID 155910711) is 2-fluoro-5-(2-methoxyquinolin-3-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-5-(2-methoxyquinolin-3-yl)benzonitrile?
The canonical SMILES for 2-fluoro-5-(2-methoxyquinolin-3-yl)benzonitrile is COc1nc2ccccc2cc1-c1ccc(F)c(C#N)c1.
What is the InChIKey of 2-fluoro-5-(2-methoxyquinolin-3-yl)benzonitrile?
The InChIKey is MKGVMYPIBYSTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O/c1-21-17-14(9-12-4-2-3-5-16(12)20-17)11-6-7-15(18)13(8-11)10-19/h2-9H,1H3.
What are the key properties of 2-fluoro-5-(2-methoxyquinolin-3-yl)benzonitrile?
2-fluoro-5-(2-methoxyquinolin-3-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 2-fluoro-5-(2-methoxyquinolin-3-yl)benzonitrile is sourced from PubChem (CID 155910711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).