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

C22H18FNO — CID 164748972

IUPAC2-(8-fluoro-6-propan-2-ylisoquinolin-1-yl)naphthalen-1-ol
SMILESCC(C)c1cc(F)c2c(-c3ccc4ccccc4c3O)nccc2c1
InChIInChI=1S/C22H18FNO/c1-13(2)16-11-15-9-10-24-21(20(15)19(23)12-16)18-8-7-14-5-3-4-6-17(14)22(18)25/h3-13,25H,1-2H3
InChIKeyWZZFZFGLEOLQFQ-UHFFFAOYSA-N
MW331.39 g/mol
LogP6.02
Rot. Bonds2

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

2-(8-fluoro-6-propan-2-ylisoquinolin-1-yl)naphthalen-1-ol (PubChem CID 164748972) has the molecular formula C22H18FNO and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-(8-fluoro-6-propan-2-ylisoquinolin-1-yl)naphthalen-1-ol.

Molecular Properties

Compound Name2-(8-fluoro-6-propan-2-ylisoquinolin-1-yl)naphthalen-1-ol
PubChem CID164748972
Molecular FormulaC22H18FNO
Molecular Weight331.39 g/mol
Exact Mass331.14
IUPAC Name2-(8-fluoro-6-propan-2-ylisoquinolin-1-yl)naphthalen-1-ol
SMILESCC(C)c1cc(F)c2c(-c3ccc4ccccc4c3O)nccc2c1
InChIInChI=1S/C22H18FNO/c1-13(2)16-11-15-9-10-24-21(20(15)19(23)12-16)18-8-7-14-5-3-4-6-17(14)22(18)25/h3-13,25H,1-2H3
InChIKeyWZZFZFGLEOLQFQ-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 2-(8-fluoro-6-propan-2-ylisoquinolin-1-yl)naphthalen-1-ol?
The IUPAC name of 2-(8-fluoro-6-propan-2-ylisoquinolin-1-yl)naphthalen-1-ol (CID 164748972) is 2-(8-fluoro-6-propan-2-ylisoquinolin-1-yl)naphthalen-1-ol.
What is the SMILES notation for 2-(8-fluoro-6-propan-2-ylisoquinolin-1-yl)naphthalen-1-ol?
The canonical SMILES for 2-(8-fluoro-6-propan-2-ylisoquinolin-1-yl)naphthalen-1-ol is CC(C)c1cc(F)c2c(-c3ccc4ccccc4c3O)nccc2c1.
What is the InChIKey of 2-(8-fluoro-6-propan-2-ylisoquinolin-1-yl)naphthalen-1-ol?
The InChIKey is WZZFZFGLEOLQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO/c1-13(2)16-11-15-9-10-24-21(20(15)19(23)12-16)18-8-7-14-5-3-4-6-17(14)22(18)25/h3-13,25H,1-2H3.
What are the key properties of 2-(8-fluoro-6-propan-2-ylisoquinolin-1-yl)naphthalen-1-ol?
2-(8-fluoro-6-propan-2-ylisoquinolin-1-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 2-(8-fluoro-6-propan-2-ylisoquinolin-1-yl)naphthalen-1-ol is sourced from PubChem (CID 164748972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).