4-[2-fluoro-4-(6-methoxy-3-pyridinyl)phenoxy]-6,7-dimethylquinoline

C23H19FN2O2 — CID 58170298

IUPAC4-[2-fluoro-4-(6-methoxy-3-pyridinyl)phenoxy]-6,7-dimethylquinoline
SMILESCOc1ccc(-c2ccc(Oc3ccnc4cc(C)c(C)cc34)c(F)c2)cn1
InChIInChI=1S/C23H19FN2O2/c1-14-10-18-20(11-15(14)2)25-9-8-21(18)28-22-6-4-16(12-19(22)24)17-5-7-23(27-3)26-13-17/h4-13H,1-3H3
InChIKeyCWLCYHBTIFEIFK-UHFFFAOYSA-N
MW374.42 g/mol
LogP5.85
Rot. Bonds4

About 4-[2-fluoro-4-(6-methoxy-3-pyridinyl)phenoxy]-6,7-dimethylquinoline

4-[2-fluoro-4-(6-methoxy-3-pyridinyl)phenoxy]-6,7-dimethylquinoline (PubChem CID 58170298) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-[2-fluoro-4-(6-methoxy-3-pyridinyl)phenoxy]-6,7-dimethylquinoline.

Molecular Properties

Compound Name4-[2-fluoro-4-(6-methoxy-3-pyridinyl)phenoxy]-6,7-dimethylquinoline
PubChem CID58170298
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name4-[2-fluoro-4-(6-methoxy-3-pyridinyl)phenoxy]-6,7-dimethylquinoline
SMILESCOc1ccc(-c2ccc(Oc3ccnc4cc(C)c(C)cc34)c(F)c2)cn1
InChIInChI=1S/C23H19FN2O2/c1-14-10-18-20(11-15(14)2)25-9-8-21(18)28-22-6-4-16(12-19(22)24)17-5-7-23(27-3)26-13-17/h4-13H,1-3H3
InChIKeyCWLCYHBTIFEIFK-UHFFFAOYSA-N
XLogP5.85
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-(6-methoxy-3-pyridinyl)phenoxy]-6,7-dimethylquinoline?
The IUPAC name of 4-[2-fluoro-4-(6-methoxy-3-pyridinyl)phenoxy]-6,7-dimethylquinoline (CID 58170298) is 4-[2-fluoro-4-(6-methoxy-3-pyridinyl)phenoxy]-6,7-dimethylquinoline.
What is the SMILES notation for 4-[2-fluoro-4-(6-methoxy-3-pyridinyl)phenoxy]-6,7-dimethylquinoline?
The canonical SMILES for 4-[2-fluoro-4-(6-methoxy-3-pyridinyl)phenoxy]-6,7-dimethylquinoline is COc1ccc(-c2ccc(Oc3ccnc4cc(C)c(C)cc34)c(F)c2)cn1.
What is the InChIKey of 4-[2-fluoro-4-(6-methoxy-3-pyridinyl)phenoxy]-6,7-dimethylquinoline?
The InChIKey is CWLCYHBTIFEIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-14-10-18-20(11-15(14)2)25-9-8-21(18)28-22-6-4-16(12-19(22)24)17-5-7-23(27-3)26-13-17/h4-13H,1-3H3.
What are the key properties of 4-[2-fluoro-4-(6-methoxy-3-pyridinyl)phenoxy]-6,7-dimethylquinoline?
4-[2-fluoro-4-(6-methoxy-3-pyridinyl)phenoxy]-6,7-dimethylquinoline has a molecular weight of 374.42 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-(6-methoxy-3-pyridinyl)phenoxy]-6,7-dimethylquinoline is sourced from PubChem (CID 58170298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).