1-isoquinolin-8-yl-2,3-dihydroinden-1-ol

C18H15NO — CID 103142663

IUPAC1-isoquinolin-8-yl-2,3-dihydroinden-1-ol
SMILESOC1(c2cccc3ccncc23)CCc2ccccc21
InChIInChI=1S/C18H15NO/c20-18(10-8-14-4-1-2-6-16(14)18)17-7-3-5-13-9-11-19-12-15(13)17/h1-7,9,11-12,20H,8,10H2
InChIKeyJKVUIHWFXNGVFS-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.42
Rot. Bonds1

About 1-isoquinolin-8-yl-2,3-dihydroinden-1-ol

1-isoquinolin-8-yl-2,3-dihydroinden-1-ol (PubChem CID 103142663) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-isoquinolin-8-yl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-isoquinolin-8-yl-2,3-dihydroinden-1-ol
PubChem CID103142663
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name1-isoquinolin-8-yl-2,3-dihydroinden-1-ol
SMILESOC1(c2cccc3ccncc23)CCc2ccccc21
InChIInChI=1S/C18H15NO/c20-18(10-8-14-4-1-2-6-16(14)18)17-7-3-5-13-9-11-19-12-15(13)17/h1-7,9,11-12,20H,8,10H2
InChIKeyJKVUIHWFXNGVFS-UHFFFAOYSA-N
XLogP3.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-isoquinolin-8-yl-2,3-dihydroinden-1-ol 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 1-isoquinolin-8-yl-2,3-dihydroinden-1-ol?
The IUPAC name of 1-isoquinolin-8-yl-2,3-dihydroinden-1-ol (CID 103142663) is 1-isoquinolin-8-yl-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-isoquinolin-8-yl-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-isoquinolin-8-yl-2,3-dihydroinden-1-ol is OC1(c2cccc3ccncc23)CCc2ccccc21.
What is the InChIKey of 1-isoquinolin-8-yl-2,3-dihydroinden-1-ol?
The InChIKey is JKVUIHWFXNGVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c20-18(10-8-14-4-1-2-6-16(14)18)17-7-3-5-13-9-11-19-12-15(13)17/h1-7,9,11-12,20H,8,10H2.
What are the key properties of 1-isoquinolin-8-yl-2,3-dihydroinden-1-ol?
1-isoquinolin-8-yl-2,3-dihydroinden-1-ol has a molecular weight of 261.32 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-yl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 103142663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).