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6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline

C22H17FN2O — CID 90094621

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline
SMILESCOc1ccnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12
InChIInChI=1S/C22H17FN2O/c1-14-12-16(5-7-19(14)23)22-17(4-3-10-25-22)15-6-8-20-18(13-15)21(26-2)9-11-24-20/h3-13H,1-2H3
InChIKeyKXSKEDRWWAWAFL-UHFFFAOYSA-N
MW344.39 g/mol
LogP5.42
Rot. Bonds3

About 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline

6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline (PubChem CID 90094621) has the molecular formula C22H17FN2O and a molecular weight of 344.39 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline.

Molecular Properties

Compound Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline
PubChem CID90094621
Molecular FormulaC22H17FN2O
Molecular Weight344.39 g/mol
Exact Mass344.13
IUPAC Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline
SMILESCOc1ccnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12
InChIInChI=1S/C22H17FN2O/c1-14-12-16(5-7-19(14)23)22-17(4-3-10-25-22)15-6-8-20-18(13-15)21(26-2)9-11-24-20/h3-13H,1-2H3
InChIKeyKXSKEDRWWAWAFL-UHFFFAOYSA-N
XLogP5.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.39
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline?
The IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline (CID 90094621) is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline.
What is the SMILES notation for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline?
The canonical SMILES for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline is COc1ccnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cc12.
What is the InChIKey of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline?
The InChIKey is KXSKEDRWWAWAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O/c1-14-12-16(5-7-19(14)23)22-17(4-3-10-25-22)15-6-8-20-18(13-15)21(26-2)9-11-24-20/h3-13H,1-2H3.
What are the key properties of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline?
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline has a molecular weight of 344.39 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-methoxyquinoline is sourced from PubChem (CID 90094621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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