6-fluoro-3-(4-methoxyphenyl)isoquinoline

C16H12FNO — CID 25058375

IUPAC6-fluoro-3-(4-methoxyphenyl)isoquinoline
SMILESCOc1ccc(-c2cc3cc(F)ccc3cn2)cc1
InChIInChI=1S/C16H12FNO/c1-19-15-6-3-11(4-7-15)16-9-13-8-14(17)5-2-12(13)10-18-16/h2-10H,1H3
InChIKeyWCTPGMZANYLWRX-UHFFFAOYSA-N
MW253.28 g/mol
LogP4.05
Rot. Bonds2

About 6-fluoro-3-(4-methoxyphenyl)isoquinoline

6-fluoro-3-(4-methoxyphenyl)isoquinoline (PubChem CID 25058375) has the molecular formula C16H12FNO and a molecular weight of 253.28 g/mol. Its IUPAC name is 6-fluoro-3-(4-methoxyphenyl)isoquinoline.

Molecular Properties

Compound Name6-fluoro-3-(4-methoxyphenyl)isoquinoline
PubChem CID25058375
Molecular FormulaC16H12FNO
Molecular Weight253.28 g/mol
Exact Mass253.09
IUPAC Name6-fluoro-3-(4-methoxyphenyl)isoquinoline
SMILESCOc1ccc(-c2cc3cc(F)ccc3cn2)cc1
InChIInChI=1S/C16H12FNO/c1-19-15-6-3-11(4-7-15)16-9-13-8-14(17)5-2-12(13)10-18-16/h2-10H,1H3
InChIKeyWCTPGMZANYLWRX-UHFFFAOYSA-N
XLogP4.05
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(4-methoxyphenyl)isoquinoline?
The IUPAC name of 6-fluoro-3-(4-methoxyphenyl)isoquinoline (CID 25058375) is 6-fluoro-3-(4-methoxyphenyl)isoquinoline.
What is the SMILES notation for 6-fluoro-3-(4-methoxyphenyl)isoquinoline?
The canonical SMILES for 6-fluoro-3-(4-methoxyphenyl)isoquinoline is COc1ccc(-c2cc3cc(F)ccc3cn2)cc1.
What is the InChIKey of 6-fluoro-3-(4-methoxyphenyl)isoquinoline?
The InChIKey is WCTPGMZANYLWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO/c1-19-15-6-3-11(4-7-15)16-9-13-8-14(17)5-2-12(13)10-18-16/h2-10H,1H3.
What are the key properties of 6-fluoro-3-(4-methoxyphenyl)isoquinoline?
6-fluoro-3-(4-methoxyphenyl)isoquinoline has a molecular weight of 253.28 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(4-methoxyphenyl)isoquinoline is sourced from PubChem (CID 25058375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).