7-(5-fluoro-2-methylphenyl)-2-(6-methoxy-2-pyridinyl)-1H-isoquinoline

C22H19FN2O — CID 141437258

IUPAC7-(5-fluoro-2-methylphenyl)-2-(6-methoxy-2-pyridinyl)-1H-isoquinoline
SMILESCOc1cccc(N2C=Cc3ccc(-c4cc(F)ccc4C)cc3C2)n1
InChIInChI=1S/C22H19FN2O/c1-15-6-9-19(23)13-20(15)17-8-7-16-10-11-25(14-18(16)12-17)21-4-3-5-22(24-21)26-2/h3-13H,14H2,1-2H3
InChIKeyUUWMSLMFNYEAMT-UHFFFAOYSA-N
MW346.41 g/mol
LogP5.20
Rot. Bonds3

About 7-(5-fluoro-2-methylphenyl)-2-(6-methoxy-2-pyridinyl)-1H-isoquinoline

7-(5-fluoro-2-methylphenyl)-2-(6-methoxy-2-pyridinyl)-1H-isoquinoline (PubChem CID 141437258) has the molecular formula C22H19FN2O and a molecular weight of 346.41 g/mol. Its IUPAC name is 7-(5-fluoro-2-methylphenyl)-2-(6-methoxy-2-pyridinyl)-1H-isoquinoline.

Molecular Properties

Compound Name7-(5-fluoro-2-methylphenyl)-2-(6-methoxy-2-pyridinyl)-1H-isoquinoline
PubChem CID141437258
Molecular FormulaC22H19FN2O
Molecular Weight346.41 g/mol
Exact Mass346.15
IUPAC Name7-(5-fluoro-2-methylphenyl)-2-(6-methoxy-2-pyridinyl)-1H-isoquinoline
SMILESCOc1cccc(N2C=Cc3ccc(-c4cc(F)ccc4C)cc3C2)n1
InChIInChI=1S/C22H19FN2O/c1-15-6-9-19(23)13-20(15)17-8-7-16-10-11-25(14-18(16)12-17)21-4-3-5-22(24-21)26-2/h3-13H,14H2,1-2H3
InChIKeyUUWMSLMFNYEAMT-UHFFFAOYSA-N
XLogP5.20
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.41
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2-methylphenyl)-2-(6-methoxy-2-pyridinyl)-1H-isoquinoline?
The IUPAC name of 7-(5-fluoro-2-methylphenyl)-2-(6-methoxy-2-pyridinyl)-1H-isoquinoline (CID 141437258) is 7-(5-fluoro-2-methylphenyl)-2-(6-methoxy-2-pyridinyl)-1H-isoquinoline.
What is the SMILES notation for 7-(5-fluoro-2-methylphenyl)-2-(6-methoxy-2-pyridinyl)-1H-isoquinoline?
The canonical SMILES for 7-(5-fluoro-2-methylphenyl)-2-(6-methoxy-2-pyridinyl)-1H-isoquinoline is COc1cccc(N2C=Cc3ccc(-c4cc(F)ccc4C)cc3C2)n1.
What is the InChIKey of 7-(5-fluoro-2-methylphenyl)-2-(6-methoxy-2-pyridinyl)-1H-isoquinoline?
The InChIKey is UUWMSLMFNYEAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O/c1-15-6-9-19(23)13-20(15)17-8-7-16-10-11-25(14-18(16)12-17)21-4-3-5-22(24-21)26-2/h3-13H,14H2,1-2H3.
What are the key properties of 7-(5-fluoro-2-methylphenyl)-2-(6-methoxy-2-pyridinyl)-1H-isoquinoline?
7-(5-fluoro-2-methylphenyl)-2-(6-methoxy-2-pyridinyl)-1H-isoquinoline has a molecular weight of 346.41 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-2-methylphenyl)-2-(6-methoxy-2-pyridinyl)-1H-isoquinoline is sourced from PubChem (CID 141437258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).