8-(2-fluoro-4-methylphenyl)isoquinoline

C16H12FN — CID 90260610

IUPAC8-(2-fluoro-4-methylphenyl)isoquinoline
SMILESCc1ccc(-c2cccc3ccncc23)c(F)c1
InChIInChI=1S/C16H12FN/c1-11-5-6-14(16(17)9-11)13-4-2-3-12-7-8-18-10-15(12)13/h2-10H,1H3
InChIKeyGHJJFOKEKCVMRX-UHFFFAOYSA-N
MW237.28 g/mol
LogP4.35
Rot. Bonds1

About 8-(2-fluoro-4-methylphenyl)isoquinoline

8-(2-fluoro-4-methylphenyl)isoquinoline (PubChem CID 90260610) has the molecular formula C16H12FN and a molecular weight of 237.28 g/mol. Its IUPAC name is 8-(2-fluoro-4-methylphenyl)isoquinoline.

Molecular Properties

Compound Name8-(2-fluoro-4-methylphenyl)isoquinoline
PubChem CID90260610
Molecular FormulaC16H12FN
Molecular Weight237.28 g/mol
Exact Mass237.10
IUPAC Name8-(2-fluoro-4-methylphenyl)isoquinoline
SMILESCc1ccc(-c2cccc3ccncc23)c(F)c1
InChIInChI=1S/C16H12FN/c1-11-5-6-14(16(17)9-11)13-4-2-3-12-7-8-18-10-15(12)13/h2-10H,1H3
InChIKeyGHJJFOKEKCVMRX-UHFFFAOYSA-N
XLogP4.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoro-4-methylphenyl)isoquinoline?
The IUPAC name of 8-(2-fluoro-4-methylphenyl)isoquinoline (CID 90260610) is 8-(2-fluoro-4-methylphenyl)isoquinoline.
What is the SMILES notation for 8-(2-fluoro-4-methylphenyl)isoquinoline?
The canonical SMILES for 8-(2-fluoro-4-methylphenyl)isoquinoline is Cc1ccc(-c2cccc3ccncc23)c(F)c1.
What is the InChIKey of 8-(2-fluoro-4-methylphenyl)isoquinoline?
The InChIKey is GHJJFOKEKCVMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN/c1-11-5-6-14(16(17)9-11)13-4-2-3-12-7-8-18-10-15(12)13/h2-10H,1H3.
What are the key properties of 8-(2-fluoro-4-methylphenyl)isoquinoline?
8-(2-fluoro-4-methylphenyl)isoquinoline has a molecular weight of 237.28 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoro-4-methylphenyl)isoquinoline is sourced from PubChem (CID 90260610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).