7-fluoro-3-[4-(1-hydroxycyclopropyl)phenyl]-2H-isoquinolin-1-one

C18H14FNO2 — CID 73058320

IUPAC7-fluoro-3-[4-(1-hydroxycyclopropyl)phenyl]-2H-isoquinolin-1-one
SMILESO=c1[nH]c(-c2ccc(C3(O)CC3)cc2)cc2ccc(F)cc12
InChIInChI=1S/C18H14FNO2/c19-14-6-3-12-9-16(20-17(21)15(12)10-14)11-1-4-13(5-2-11)18(22)7-8-18/h1-6,9-10,22H,7-8H2,(H,20,21)
InChIKeyGJBXMSRFEKITGB-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.32
Rot. Bonds2

About 7-fluoro-3-[4-(1-hydroxycyclopropyl)phenyl]-2H-isoquinolin-1-one

7-fluoro-3-[4-(1-hydroxycyclopropyl)phenyl]-2H-isoquinolin-1-one (PubChem CID 73058320) has the molecular formula C18H14FNO2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 7-fluoro-3-[4-(1-hydroxycyclopropyl)phenyl]-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-fluoro-3-[4-(1-hydroxycyclopropyl)phenyl]-2H-isoquinolin-1-one
PubChem CID73058320
Molecular FormulaC18H14FNO2
Molecular Weight295.31 g/mol
Exact Mass295.10
IUPAC Name7-fluoro-3-[4-(1-hydroxycyclopropyl)phenyl]-2H-isoquinolin-1-one
SMILESO=c1[nH]c(-c2ccc(C3(O)CC3)cc2)cc2ccc(F)cc12
InChIInChI=1S/C18H14FNO2/c19-14-6-3-12-9-16(20-17(21)15(12)10-14)11-1-4-13(5-2-11)18(22)7-8-18/h1-6,9-10,22H,7-8H2,(H,20,21)
InChIKeyGJBXMSRFEKITGB-UHFFFAOYSA-N
XLogP3.32
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-3-[4-(1-hydroxycyclopropyl)phenyl]-2H-isoquinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[4-(1-hydroxycyclopropyl)phenyl]-2H-isoquinolin-1-one?
The IUPAC name of 7-fluoro-3-[4-(1-hydroxycyclopropyl)phenyl]-2H-isoquinolin-1-one (CID 73058320) is 7-fluoro-3-[4-(1-hydroxycyclopropyl)phenyl]-2H-isoquinolin-1-one.
What is the SMILES notation for 7-fluoro-3-[4-(1-hydroxycyclopropyl)phenyl]-2H-isoquinolin-1-one?
The canonical SMILES for 7-fluoro-3-[4-(1-hydroxycyclopropyl)phenyl]-2H-isoquinolin-1-one is O=c1[nH]c(-c2ccc(C3(O)CC3)cc2)cc2ccc(F)cc12.
What is the InChIKey of 7-fluoro-3-[4-(1-hydroxycyclopropyl)phenyl]-2H-isoquinolin-1-one?
The InChIKey is GJBXMSRFEKITGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2/c19-14-6-3-12-9-16(20-17(21)15(12)10-14)11-1-4-13(5-2-11)18(22)7-8-18/h1-6,9-10,22H,7-8H2,(H,20,21).
What are the key properties of 7-fluoro-3-[4-(1-hydroxycyclopropyl)phenyl]-2H-isoquinolin-1-one?
7-fluoro-3-[4-(1-hydroxycyclopropyl)phenyl]-2H-isoquinolin-1-one has a molecular weight of 295.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[4-(1-hydroxycyclopropyl)phenyl]-2H-isoquinolin-1-one is sourced from PubChem (CID 73058320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).