5-fluoro-1-isoquinolin-5-yl-2,3-dihydroinden-1-ol

C18H14FNO — CID 116531636

IUPAC5-fluoro-1-isoquinolin-5-yl-2,3-dihydroinden-1-ol
SMILESOC1(c2cccc3cnccc23)CCc2cc(F)ccc21
InChIInChI=1S/C18H14FNO/c19-14-4-5-16-12(10-14)6-8-18(16,21)17-3-1-2-13-11-20-9-7-15(13)17/h1-5,7,9-11,21H,6,8H2
InChIKeyZJFUSDYXZRUHLC-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.56
Rot. Bonds1

About 5-fluoro-1-isoquinolin-5-yl-2,3-dihydroinden-1-ol

5-fluoro-1-isoquinolin-5-yl-2,3-dihydroinden-1-ol (PubChem CID 116531636) has the molecular formula C18H14FNO and a molecular weight of 279.31 g/mol. Its IUPAC name is 5-fluoro-1-isoquinolin-5-yl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-fluoro-1-isoquinolin-5-yl-2,3-dihydroinden-1-ol
PubChem CID116531636
Molecular FormulaC18H14FNO
Molecular Weight279.31 g/mol
Exact Mass279.11
IUPAC Name5-fluoro-1-isoquinolin-5-yl-2,3-dihydroinden-1-ol
SMILESOC1(c2cccc3cnccc23)CCc2cc(F)ccc21
InChIInChI=1S/C18H14FNO/c19-14-4-5-16-12(10-14)6-8-18(16,21)17-3-1-2-13-11-20-9-7-15(13)17/h1-5,7,9-11,21H,6,8H2
InChIKeyZJFUSDYXZRUHLC-UHFFFAOYSA-N
XLogP3.56
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-isoquinolin-5-yl-2,3-dihydroinden-1-ol?
The IUPAC name of 5-fluoro-1-isoquinolin-5-yl-2,3-dihydroinden-1-ol (CID 116531636) is 5-fluoro-1-isoquinolin-5-yl-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-fluoro-1-isoquinolin-5-yl-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-fluoro-1-isoquinolin-5-yl-2,3-dihydroinden-1-ol is OC1(c2cccc3cnccc23)CCc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-isoquinolin-5-yl-2,3-dihydroinden-1-ol?
The InChIKey is ZJFUSDYXZRUHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO/c19-14-4-5-16-12(10-14)6-8-18(16,21)17-3-1-2-13-11-20-9-7-15(13)17/h1-5,7,9-11,21H,6,8H2.
What are the key properties of 5-fluoro-1-isoquinolin-5-yl-2,3-dihydroinden-1-ol?
5-fluoro-1-isoquinolin-5-yl-2,3-dihydroinden-1-ol has a molecular weight of 279.31 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-isoquinolin-5-yl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 116531636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).