8-(4-fluoro-6-propan-2-ylisoquinolin-3-yl)naphthalen-1-ol

C22H18FNO — CID 164748204

IUPAC8-(4-fluoro-6-propan-2-ylisoquinolin-3-yl)naphthalen-1-ol
SMILESCC(C)c1ccc2cnc(-c3cccc4cccc(O)c34)c(F)c2c1
InChIInChI=1S/C22H18FNO/c1-13(2)15-9-10-16-12-24-22(21(23)18(16)11-15)17-7-3-5-14-6-4-8-19(25)20(14)17/h3-13,25H,1-2H3
InChIKeyKQTTWHJROBONNM-UHFFFAOYSA-N
MW331.39 g/mol
LogP6.02
Rot. Bonds2

About 8-(4-fluoro-6-propan-2-ylisoquinolin-3-yl)naphthalen-1-ol

8-(4-fluoro-6-propan-2-ylisoquinolin-3-yl)naphthalen-1-ol (PubChem CID 164748204) has the molecular formula C22H18FNO and a molecular weight of 331.39 g/mol. Its IUPAC name is 8-(4-fluoro-6-propan-2-ylisoquinolin-3-yl)naphthalen-1-ol.

Molecular Properties

Compound Name8-(4-fluoro-6-propan-2-ylisoquinolin-3-yl)naphthalen-1-ol
PubChem CID164748204
Molecular FormulaC22H18FNO
Molecular Weight331.39 g/mol
Exact Mass331.14
IUPAC Name8-(4-fluoro-6-propan-2-ylisoquinolin-3-yl)naphthalen-1-ol
SMILESCC(C)c1ccc2cnc(-c3cccc4cccc(O)c34)c(F)c2c1
InChIInChI=1S/C22H18FNO/c1-13(2)15-9-10-16-12-24-22(21(23)18(16)11-15)17-7-3-5-14-6-4-8-19(25)20(14)17/h3-13,25H,1-2H3
InChIKeyKQTTWHJROBONNM-UHFFFAOYSA-N
XLogP6.02
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.39
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluoro-6-propan-2-ylisoquinolin-3-yl)naphthalen-1-ol?
The IUPAC name of 8-(4-fluoro-6-propan-2-ylisoquinolin-3-yl)naphthalen-1-ol (CID 164748204) is 8-(4-fluoro-6-propan-2-ylisoquinolin-3-yl)naphthalen-1-ol.
What is the SMILES notation for 8-(4-fluoro-6-propan-2-ylisoquinolin-3-yl)naphthalen-1-ol?
The canonical SMILES for 8-(4-fluoro-6-propan-2-ylisoquinolin-3-yl)naphthalen-1-ol is CC(C)c1ccc2cnc(-c3cccc4cccc(O)c34)c(F)c2c1.
What is the InChIKey of 8-(4-fluoro-6-propan-2-ylisoquinolin-3-yl)naphthalen-1-ol?
The InChIKey is KQTTWHJROBONNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO/c1-13(2)15-9-10-16-12-24-22(21(23)18(16)11-15)17-7-3-5-14-6-4-8-19(25)20(14)17/h3-13,25H,1-2H3.
What are the key properties of 8-(4-fluoro-6-propan-2-ylisoquinolin-3-yl)naphthalen-1-ol?
8-(4-fluoro-6-propan-2-ylisoquinolin-3-yl)naphthalen-1-ol has a molecular weight of 331.39 g/mol, XLogP of 6.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluoro-6-propan-2-ylisoquinolin-3-yl)naphthalen-1-ol is sourced from PubChem (CID 164748204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).