3-(3,5-dimethoxyphenyl)-6-fluoroisoquinoline

C17H14FNO2 — CID 25058376

IUPAC3-(3,5-dimethoxyphenyl)-6-fluoroisoquinoline
SMILESCOc1cc(OC)cc(-c2cc3cc(F)ccc3cn2)c1
InChIInChI=1S/C17H14FNO2/c1-20-15-6-13(7-16(9-15)21-2)17-8-12-5-14(18)4-3-11(12)10-19-17/h3-10H,1-2H3
InChIKeyHPCYMWQWRRIPEQ-UHFFFAOYSA-N
MW283.30 g/mol
LogP4.06
Rot. Bonds3

About 3-(3,5-dimethoxyphenyl)-6-fluoroisoquinoline

3-(3,5-dimethoxyphenyl)-6-fluoroisoquinoline (PubChem CID 25058376) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-6-fluoroisoquinoline.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-6-fluoroisoquinoline
PubChem CID25058376
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name3-(3,5-dimethoxyphenyl)-6-fluoroisoquinoline
SMILESCOc1cc(OC)cc(-c2cc3cc(F)ccc3cn2)c1
InChIInChI=1S/C17H14FNO2/c1-20-15-6-13(7-16(9-15)21-2)17-8-12-5-14(18)4-3-11(12)10-19-17/h3-10H,1-2H3
InChIKeyHPCYMWQWRRIPEQ-UHFFFAOYSA-N
XLogP4.06
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-6-fluoroisoquinoline?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-6-fluoroisoquinoline (CID 25058376) is 3-(3,5-dimethoxyphenyl)-6-fluoroisoquinoline.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-6-fluoroisoquinoline?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-6-fluoroisoquinoline is COc1cc(OC)cc(-c2cc3cc(F)ccc3cn2)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-6-fluoroisoquinoline?
The InChIKey is HPCYMWQWRRIPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-20-15-6-13(7-16(9-15)21-2)17-8-12-5-14(18)4-3-11(12)10-19-17/h3-10H,1-2H3.
What are the key properties of 3-(3,5-dimethoxyphenyl)-6-fluoroisoquinoline?
3-(3,5-dimethoxyphenyl)-6-fluoroisoquinoline has a molecular weight of 283.30 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-6-fluoroisoquinoline is sourced from PubChem (CID 25058376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).