5-fluoro-8-(3-methoxy-4-pyridinyl)quinoline

C15H11FN2O — CID 162637941

IUPAC5-fluoro-8-(3-methoxy-4-pyridinyl)quinoline
SMILESCOc1cnccc1-c1ccc(F)c2cccnc12
InChIInChI=1S/C15H11FN2O/c1-19-14-9-17-8-6-10(14)11-4-5-13(16)12-3-2-7-18-15(11)12/h2-9H,1H3
InChIKeyQIXWVXNVHCNQNB-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.44
Rot. Bonds2

About 5-fluoro-8-(3-methoxy-4-pyridinyl)quinoline

5-fluoro-8-(3-methoxy-4-pyridinyl)quinoline (PubChem CID 162637941) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 5-fluoro-8-(3-methoxy-4-pyridinyl)quinoline.

Molecular Properties

Compound Name5-fluoro-8-(3-methoxy-4-pyridinyl)quinoline
PubChem CID162637941
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name5-fluoro-8-(3-methoxy-4-pyridinyl)quinoline
SMILESCOc1cnccc1-c1ccc(F)c2cccnc12
InChIInChI=1S/C15H11FN2O/c1-19-14-9-17-8-6-10(14)11-4-5-13(16)12-3-2-7-18-15(11)12/h2-9H,1H3
InChIKeyQIXWVXNVHCNQNB-UHFFFAOYSA-N
XLogP3.44
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-8-(3-methoxy-4-pyridinyl)quinoline?
The IUPAC name of 5-fluoro-8-(3-methoxy-4-pyridinyl)quinoline (CID 162637941) is 5-fluoro-8-(3-methoxy-4-pyridinyl)quinoline.
What is the SMILES notation for 5-fluoro-8-(3-methoxy-4-pyridinyl)quinoline?
The canonical SMILES for 5-fluoro-8-(3-methoxy-4-pyridinyl)quinoline is COc1cnccc1-c1ccc(F)c2cccnc12.
What is the InChIKey of 5-fluoro-8-(3-methoxy-4-pyridinyl)quinoline?
The InChIKey is QIXWVXNVHCNQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c1-19-14-9-17-8-6-10(14)11-4-5-13(16)12-3-2-7-18-15(11)12/h2-9H,1H3.
What are the key properties of 5-fluoro-8-(3-methoxy-4-pyridinyl)quinoline?
5-fluoro-8-(3-methoxy-4-pyridinyl)quinoline has a molecular weight of 254.26 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-8-(3-methoxy-4-pyridinyl)quinoline is sourced from PubChem (CID 162637941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).