3-isoquinolin-8-ylcyclopentan-1-one

C14H13NO — CID 103144157

IUPAC3-isoquinolin-8-ylcyclopentan-1-one
SMILESO=C1CCC(c2cccc3ccncc23)C1
InChIInChI=1S/C14H13NO/c16-12-5-4-11(8-12)13-3-1-2-10-6-7-15-9-14(10)13/h1-3,6-7,9,11H,4-5,8H2
InChIKeyKUUKULMURNALEQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.07
Rot. Bonds1

About 3-isoquinolin-8-ylcyclopentan-1-one

3-isoquinolin-8-ylcyclopentan-1-one (PubChem CID 103144157) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-isoquinolin-8-ylcyclopentan-1-one.

Molecular Properties

Compound Name3-isoquinolin-8-ylcyclopentan-1-one
PubChem CID103144157
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name3-isoquinolin-8-ylcyclopentan-1-one
SMILESO=C1CCC(c2cccc3ccncc23)C1
InChIInChI=1S/C14H13NO/c16-12-5-4-11(8-12)13-3-1-2-10-6-7-15-9-14(10)13/h1-3,6-7,9,11H,4-5,8H2
InChIKeyKUUKULMURNALEQ-UHFFFAOYSA-N
XLogP3.07
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-isoquinolin-8-ylcyclopentan-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 3-isoquinolin-8-ylcyclopentan-1-one?
The IUPAC name of 3-isoquinolin-8-ylcyclopentan-1-one (CID 103144157) is 3-isoquinolin-8-ylcyclopentan-1-one.
What is the SMILES notation for 3-isoquinolin-8-ylcyclopentan-1-one?
The canonical SMILES for 3-isoquinolin-8-ylcyclopentan-1-one is O=C1CCC(c2cccc3ccncc23)C1.
What is the InChIKey of 3-isoquinolin-8-ylcyclopentan-1-one?
The InChIKey is KUUKULMURNALEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c16-12-5-4-11(8-12)13-3-1-2-10-6-7-15-9-14(10)13/h1-3,6-7,9,11H,4-5,8H2.
What are the key properties of 3-isoquinolin-8-ylcyclopentan-1-one?
3-isoquinolin-8-ylcyclopentan-1-one has a molecular weight of 211.26 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-8-ylcyclopentan-1-one is sourced from PubChem (CID 103144157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).